Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 3/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693921 | 1.00 | COMT (0.38) | COMTCNR2CNR1KDM4EMAPT | |
| SCHEMBL4690017 | 1.00 | COMT (0.38) | COMTCNR2CNR1KDM4EMAPT | |
| SCHEMBL4690940 | 0.91 | COMT (0.38) | COMTCNR2CNR1KDM4EMAPT | |
| SCHEMBL14270415 | 0.91 | COMT (0.38) | COMTCNR2CNR1KDM4EMAPT | |
| SCHEMBL14573799 | 0.90 | CYP2C19 (0.37) | CNR2CNR1KDM4EMAPTCYP1A2 | |
| SCHEMBL4693904 | 0.83 | MAPK1 (0.32) | KDM4EMAPTCYP1A2CYP2C19CYP3A4 | |
| SCHEMBL4693900 | 0.83 | MAPK1 (0.32) | KDM4EMAPTCYP1A2CYP2C19CYP3A4 | |
| SCHEMBL14573710 | 0.83 | MAPK1 (0.32) | KDM4EMAPTCYP1A2CYP2C19CYP3A4 | |
| SCHEMBL4693897 | 0.83 | MAPK1 (0.32) | KDM4EMAPTCYP1A2CYP2C19CYP3A4 | |
| SCHEMBL4694444 | 0.83 | TSHR (0.41) | CNR2CNR1KDM4EMAPTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1888581-A2 | HIV-INTEGRASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2008-02-20 | — | — | EP | disclosed |
| US-20070072831-A1 | Integrase inhibitor compounds | GILEAD SCIENCES, INC. | 2007-03-29 | — | — | US | disclosed |
| US-20070072831-A1 | Integrase inhibitor compounds | GILEAD SCIENCES, INC. | 2007-03-29 | — | — | US | disclosed |
| US-20070072831-A1 | Integrase inhibitor compounds | GILEAD SCIENCES, INC. | 2007-03-29 | — | — | US | disclosed |
| WO-2006125048-A2 | HIV-INTEGRASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-11-23 | — | — | 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-20070072831-A1 | Integrase inhibitor compounds | TYMP, CDKN1A, PAICS | COMT 645/4885CNR2 4717/4885CNR1 4589/4885 |
“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.