Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL87323 | 0.85 | F2 (0.43) | CYP1A2F2PRSS1L3MBTL1MAPT | |
| SCHEMBL51543 | 0.74 | ROCK2 (0.38) | F2PRSS1ADORA2AADORA1OPRM1 | |
| SCHEMBL62817 | 0.71 | ROCK2 (0.37) | ADORA2AADORA1L3MBTL1MAPTOPRM1 | |
| SCHEMBL13691440 | 0.71 | PPIA (0.41) | CYP1A2L3MBTL1MAPTGAAOPRM1 | |
| SCHEMBL13691434 | 0.70 | ROCK2 (0.39) | F2PRSS1ADORA2AADORA1L3MBTL1 | |
| SCHEMBL52276 | 0.70 | ROCK2 (0.36) | F2PRSS1ADORA2AADORA1OPRM1 | |
| SCHEMBL52246 | 0.70 | HPGD (0.37) | ADORA2AADORA1L3MBTL1MAPTOPRM1 | |
| SCHEMBL13691655 | 0.69 | F2 (0.37) | CYP1A2F2PRSS1L3MBTL1MAPT | |
| SCHEMBL87305 | 0.69 | MAPT (0.41) | MAPTGAATSHRHSD17B10KDM4E | |
| SCHEMBL63621 | 0.69 | ROCK2 (0.38) | ADORA2AADORA1L3MBTL1MAPTOPRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| US-20090253677-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | US | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | 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 (1 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-20090253677-A1 | HIV Integrase Inhibitors | DNTT, POLB, UNG | CYP1A2 681/4885F2 3156/4885PRSS1 499/4885 |
“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.