Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 3/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6492605 | 0.90 | CNR1 (0.36) | ROCK1CNR1MCHR1F2ELANE | |
| SCHEMBL6487683 | 0.85 | ALDH1A1 (0.42) | MEN1ALDH1A1HPGDKMT2ARAB9A | |
| SCHEMBL6478551 | 0.80 | CCR1 (0.39) | ROCK1GPR52MEN1ALDH1A1HPGD | |
| SCHEMBL6479592 | 0.78 | KDM4E (0.39) | RARGF2ELANEALDH1A1 | |
| SCHEMBL6480271 | 0.72 | EGLN1 (0.43) | ALDH1A1HPGDMPO | |
| SCHEMBL6480612 | 0.68 | HDAC1 (0.36) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6479505 | 0.66 | CCR1 (0.41) | MEN1ALDH1A1CYP2C9HPGDCYP2C19 | |
| SCHEMBL8003379 | 0.63 | GAA (0.44) | RARGALDH1A1GAACYP2C9NPC1 | |
| SCHEMBL6492314 | 0.63 | EGLN1 (0.59) | ALDH1A1 | |
| SCHEMBL4256922 | 0.61 | HDAC3 (0.46) | MEN1ALDH1A1GAAHPGDKMT2A |
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-20050010048-A1 | Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors | ZHUANG LINGHANG (US) | 2005-01-13 | — | — | US | disclosed |
| EP-1333831-A2 | AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2003-08-13 | — | — | EP | disclosed |
| WO-2002036734-A2 | AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2002-05-10 | — | — | 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-20050010048-A1 | Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors | POLI, CYP51A1, DUT | ROCK1 1905/4885CNR1 4200/4885GPR52 4058/4885 |
“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.