Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | GPR183 | P32249 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12778084 | 0.98 | KDM4E (0.58) | KDM4ETSHRHTR2AHTR2CPKM | |
| SCHEMBL12778097 | 0.98 | KDM4E (0.58) | KDM4ETSHRHTR2AHTR2CPKM | |
| SCHEMBL14530321 | 0.87 | TDO2 (0.58) | KDM4ETSHRHTR2AHTR2CPKM | |
| SCHEMBL12778115 | 0.82 | NPC1 (0.71) | KDM4EHTR2AHTR2CNPC1RAB9A | |
| SCHEMBL12778088 | 0.80 | HTR2A (0.49) | HTR2AHTR2CPKMGPR183TDO2 | |
| SCHEMBL12778126 | 0.79 | OTUD7B (0.43) | KDM4ETSHRHTR2AHTR2CPKM | |
| SCHEMBL12778134 | 0.78 | HTR2A (0.43) | KDM4ETSHRHTR2AHTR2CPKM | |
| SCHEMBL12778138 | 0.78 | HTR2A (0.43) | KDM4ETSHRHTR2AHTR2CPKM | |
| SCHEMBL4556004 | 0.78 | PKM (0.71) | KDM4ETSHRPKMCYP3A4CYP2C9 | |
| SCHEMBL1014809 | 0.78 | PKM (0.67) | KDM4ETSHRHTR2AHTR2CPKM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7902182-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-08 | — | — | US | disclosed |
| US-7902182-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-08 | — | — | US | disclosed |
| WO-2007059229-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-24 | — | — | WO | disclosed |
| US-20070111985-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-05-17 | — | — | US | disclosed |
| US-20070111985-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-05-17 | — | — | 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 (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-20070111985-A1 | HIV integrase inhibitors | TYMP, POLN, IMPDH1 | KDM4E 701/4885TSHR 4834/4885HTR2A 4074/4885 |
“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.