Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10800380 | 0.83 | GBA1 (0.50) | SLC6A2SLC6A4SLC6A3HTR1ALMNA | |
| SCHEMBL16846208 | 0.76 | KMT2A (0.42) | SLC6A2SLC6A4SLC6A3HTR1AMLNR | |
| Hydrochloric Acid SCHEMBL16825675 | 0.75 | KMT2A (0.41) | SLC6A2SLC6A4SLC6A3HTR1AMLNR | |
| SCHEMBL12748493 | 0.74 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3HTR1ACYP2D6 | |
| Fumaric Acid SCHEMBL10799317 | 0.74 | HRH1 (0.50) | SLC6A2SLC6A4SLC6A3 | |
| Maleic Acid SCHEMBL10799305 | 0.74 | HRH1 (0.50) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27361620 | 0.74 | CYP11B1 (0.37) | CYP11B1CYP11B2LMNAHTR2CALDH1A1 | |
| SCHEMBL5212828 | 0.74 | CYP11B1 (0.49) | CYP11B1CYP11B2LMNACYP3A4GABRA1 | |
| Hydrochloric Acid SCHEMBL1476150 | 0.73 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3HTR1ACYP2D6 | |
| Hydrochloric Acid SCHEMBL4095644 | 0.72 | CYP11B1 (0.48) | CYP11B1CYP11B2LMNACYP3A4GABRA1 |
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 |