Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.59 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950010 | 0.87 | ALDH1A1 (0.50) | PTPN1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6951327 | 0.84 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL6951650 | 0.84 | ALDH1A1 (0.51) | PTPN1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL7072874 | 0.75 | PTPN1 (1.00) | PTPN1ALDH1A1KDM4E | |
| SCHEMBL6951304 | 0.72 | ALDH1A1 (0.48) | PTPN1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL6945641 | 0.70 | PTPN1 (0.71) | PTPN1 | |
| SCHEMBL6947604 | 0.69 | ERCC5 (0.61) | PTPN1 | |
| SCHEMBL6940743 | 0.69 | DRD4 (0.48) | SMN1; SMN2ALDH1A1KDM4EMEN1MAPK1 | |
| SCHEMBL4110579 | 0.69 | CYP2A13 (1.00) | CYP2A13ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL6947914 | 0.67 | PTPN1 (0.83) | PTPN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |