Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHIT1 | Q13231 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.35 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.35 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1503262 | 0.91 | GAA (0.43) | GAAKEAP1ALDH1A1PDE4DMAPK1 | |
| Hydrochloric Acid SCHEMBL4763208 | 0.90 | GAA (0.42) | GAAKEAP1ALDH1A1PDE4DMAPK1 | |
| Hydrochloric Acid SCHEMBL3840135 | 0.90 | GAA (0.42) | GAAKEAP1ALDH1A1PDE4DMAPK1 | |
| Trifluoroacetic Acid SCHEMBL2525985 | 0.83 | FFAR4 (0.43) | CHIT1GAAKEAP1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL2522418 | 0.82 | HPGD (0.51) | ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4598303 | 0.81 | GAA (0.47) | CHIT1GAAALDH1A1 | |
| SCHEMBL14067846 | 0.79 | GAA (0.46) | GAAKEAP1ALDH1A1MAPK1IKBKB | |
| Trifluoroacetic Acid SCHEMBL4243585 | 0.77 | IDO1 (0.44) | KEAP1ALDH1A1 | |
| SCHEMBL14067872 | 0.77 | HDAC4 (0.41) | KEAP1MPOJAK2JAK1TYK2 | |
| SCHEMBL2292805 | 0.76 | GAA (0.43) | GAAMAPK1MPO |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101253177-B | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO | 2012-09-19 | — | — | CN | disclosed |
| EP-1919921-B1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-06-27 | — | — | EP | disclosed |
| US-8039458-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-18 | — | — | US | disclosed |
| CN-1989141-B | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO | 2010-06-16 | — | — | CN | disclosed |
| EP-1948666-B1 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2010-03-17 | — | — | EP | disclosed |
| US-7511037-B2 | N-[[4-fluoro-2-(5-methy-1H-1,2,4-triazol-1-yl)phenyl]methyl]-4-,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-03-31 | — | — | US | disclosed |
| US-7494984-B2 | Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-24 | — | — | US | disclosed |
| US-7491819-B1 | N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-17 | — | — | US | disclosed |
| EP-1749011-B1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-10-29 | — | — | EP | disclosed |
| CN-101253177-A | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2008-08-27 | — | — | CN | disclosed |
| US-7173022-B2 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-06 | — | — | US | disclosed |
| US-7157447-B2 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-02 | — | — | US | disclosed |
| US-20060276466-A1 | Bicyclic heterocycles as HIV integrase inhibitors | NAIDU B N | 2006-12-07 | — | — | US | disclosed |
| US-20060199956-A1 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-09-07 | — | — | US | disclosed |
| WO-2005118589-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-15 | — | — | WO | disclosed |
| WO-2005118590-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-15 | — | — | WO | disclosed |
| WO-2005118593-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-15 | — | — | WO | disclosed |
| US-20050267105-A1 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2005-12-01 | — | — | US | disclosed |
| US-20050267132-A1 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2005-12-01 | — | — | US | disclosed |
| US-20050267131-A1 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2005-12-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050267132-A1 | Bicyclic heterocycles as HIV integrase inhibitors | CCNI, TOP1, APOBEC3C | CHIT1 3545/4885EPHX2 1657/4885PPARG 4233/4885 |
| US-20060199956-A1 | Bicyclic heterocycles as HIV integrase inhibitors | CCNI, TYMP, IMPDH1 | CHIT1 3428/4885EPHX2 2271/4885PPARG 3967/4885 |
| US-20060276466-A1 | Bicyclic heterocycles as HIV integrase inhibitors | CCNI, TYMP, IMPDH1 | CHIT1 3428/4885EPHX2 2271/4885PPARG 3967/4885 |
| US-20050267105-A1 | Bicyclic heterocycles as HIV integrase inhibitors | CCNI, TYMP, IMPDH1 | CHIT1 3428/4885EPHX2 2271/4885PPARG 3967/4885 |
| US-20050267131-A1 | Bicyclic heterocycles as HIV integrase inhibitors | CCNI, TOP1, APOBEC3C | CHIT1 3545/4885EPHX2 1657/4885PPARG 4233/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.