Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 11/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3245653 | 0.87 | HTT (0.36) | MEN1LMNAKMT2A | |
| SCHEMBL14855591 | 0.85 | MEN1 (0.41) | MEN1LMNAKMT2A | |
| SCHEMBL14855771 | 0.83 | MEN1 (0.44) | MEN1LMNAKMT2A | |
| SCHEMBL10480725 | 0.82 | NOS2 (0.46) | SLC6A4SLC6A2SLC18A3SIGMAR1NOS2 | |
| SCHEMBL2393892 | 0.81 | MEN1 (0.46) | MEN1LMNAKMT2A | |
| SCHEMBL14855820 | 0.81 | MEN1 (0.46) | MEN1LMNAKMT2A | |
| SCHEMBL3837450 | 0.75 | SLC6A2 (0.62) | SLC6A4SLC6A2SLC18A3SIGMAR1NOS2 | |
| SCHEMBL3544485 | 0.75 | SLC18A3 (0.48) | SLC6A4SLC6A2SLC18A3SIGMAR1NOS2 | |
| SCHEMBL2323552 | 0.73 | SLC6A4 (0.38) | SLC6A4SLC6A2CYP2D6MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL18263847 | 0.73 | SLC6A2 (0.60) | SLC6A4SLC6A2SLC18A3SIGMAR1NOS2 |
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 |