Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951262 | 0.87 | LTA4H (0.47) | LTA4HNPC1RAB9AMAPTIDH1 | |
| SCHEMBL6943712 | 0.82 | PRSS1 (0.46) | KMT2AMEN1LMNAMAPK1L3MBTL1 | |
| SCHEMBL6947067 | 0.79 | PTPN1 (0.53) | LTA4HNPC1RAB9AMAPTIDH1 | |
| SCHEMBL9461011 | 0.74 | NPC1 (0.50) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL11810459 | 0.73 | LTA4H (0.69) | LTA4HIDH1KMT2AMEN1MAPK1 | |
| SCHEMBL30979262 | 0.70 | GABRA1 (0.63) | LTA4HMAPTIDH1KMT2AMEN1 | |
| SCHEMBL29215244 | 0.70 | GABRA1 (0.63) | LTA4HMAPTIDH1KMT2AMEN1 | |
| Dimethylamine SCHEMBL6944970 | 0.69 | KDM4E (0.44) | NPC1RAB9AIDH1KMT2AMEN1 | |
| SCHEMBL6944966 | 0.68 | ALDH1A1 (0.42) | LTA4HKMT2AMEN1LMNAMAPK1 | |
| SCHEMBL11818181 | 0.68 | MRGPRX4 (0.49) | RAB9AKMT2AMEN1 |
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 4 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 | 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 |