Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 10/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7425950 | 0.87 | ESR1 (0.50) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7481556 | 0.82 | NPC1 (0.47) | NPC1RAB9AESR1CNR1CNR2 | |
| SCHEMBL7425943 | 0.71 | ESR1 (0.50) | ESR1CNR1CNR2AKR1C4AKR1C3 | |
| SCHEMBL8124116 | 0.68 | ATM (0.40) | NPC1RAB9AESR1ATMKDM4E | |
| SCHEMBL6412627 | 0.68 | NPC1 (0.49) | NPC1RAB9AESR1KDM4EALDH1A1 | |
| SCHEMBL6418036 | 0.68 | NPC1 (0.49) | NPC1RAB9AESR1KDM4EALDH1A1 | |
| SCHEMBL13601846 | 0.67 | NQO2 (0.40) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL8953027 | 0.66 | KDM4E (0.41) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL9820176 | 0.65 | KDM4E (0.74) | ESR1CNR1CNR2KDM4EAKR1C4 | |
| SCHEMBL10724099 | 0.65 | NR1H2 (0.53) | ESR1CNR1CNR2KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0865281-A4 | NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS | BERLEX LAB (US) | 1999-07-28 | — | — | EP | disclosed |
| EP-0865281-A1 | NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS | BERLEX LABORATORIES, INC. (US) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997021437-A1 | NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS | BERLEX LABORATORIES, INC. (DE) | 1997-06-19 | — | — | WO | disclosed |