Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 6/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | JUN | P05412 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL9534693 | 0.84 | CYP11B2 (0.47) | CHRNB2CHRNA4ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL8911537 | 0.82 | ALDH1A1 (0.51) | CHRNB2CHRNA4ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL8481040 | 0.78 | AKT1 (0.39) | CHRNB2CHRNA4ALDH1A1MAPTKDM4E | |
| SCHEMBL22193951 | 0.78 | CYP11B1 (0.46) | CHRNB2CHRNA4CYP11B1CYP11B2MAPT | |
| SCHEMBL3168277 | 0.78 | CYP11B1 (0.46) | CHRNB2CHRNA4CYP11B1CYP11B2MAPT | |
| SCHEMBL9970115 | 0.78 | CYP11B1 (0.46) | CHRNB2CHRNA4CYP11B1CYP11B2MAPT | |
| SCHEMBL6002937 | 0.77 | SLC18A3 (0.48) | KDM1A | |
| SCHEMBL5133115 | 0.73 | CHRNB2 (0.53) | CHRNB2CHRNA4ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL28185019 | 0.71 | CHRNB2 (0.42) | CHRNB2CHRNA4KDM1ACHRNB4CHRNA3 | |
| SCHEMBL8074183 | 0.71 | SLC18A3 (0.41) | KDM1A |
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 |