Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | IKBKB | O14920 | 2/20 | 0.44 |
| ▸ | RAF1 | P04049 | 2/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 2/20 | 0.44 |
| ▸ | AKT2 | P31751 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.44 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.44 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.44 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.44 |
| ▸ | PRDX1 | Q06830 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1515444 | 0.87 | NPC1 (0.56) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL20015501 | 0.84 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL1515201 | 0.83 | NPC1 (0.52) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL8911520 | 0.81 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL5802465 | 0.77 | ALDH1A1 (0.35) | MEN1KMT2APLD1SLC6A2HTR1A | |
| Piperazine SCHEMBL28080535 | 0.72 | MEN1 (0.52) | NPC1RAB9AMEN1KMT2AATM | |
| 2-Pyridinecarboxaldehyde SCHEMBL28090541 | 0.72 | MEN1 (0.52) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL6002937 | 0.71 | SLC18A3 (0.48) | MEN1KMT2ASLC18A3SIGMAR1MAOA | |
| SCHEMBL15051734 | 0.69 | MAPK1 (0.53) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL3593807 | 0.69 | PLD1 (0.53) | NPC1RAB9AMEN1KMT2AATM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5925635-A | 2-(OXO-1,3-PERHYDRODIAZEPINES OR 3-OXO-2,3,4,5-TETRAHYDRO-1H-2,4-BENZODIAZEPINES; ANTICOAGULANTS; ENZYME INHIBITORS OF SERINE PROTEASE THROMBIN, KALLIKREIN AND PLASMIN; NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-07-20 | — | — | US | disclosed |