Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24153513 | 0.70 | CNR2 (0.37) | CYP11B1CYP11B2LMNACYP3A4GABRA1 | |
| Hydrochloric Acid SCHEMBL26109215 | 0.69 | CNR2 (0.37) | CYP11B1CYP11B2LMNACYP3A4GABRA1 | |
| SCHEMBL250225 | 0.68 | PLAT (0.42) | GABRA1PLATHRH3 | |
| SCHEMBL13006988 | 0.68 | IDO1 (0.35) | — | |
| SCHEMBL2702083 | 0.68 | IDO1 (0.36) | JAK1 | |
| Hydrochloric Acid SCHEMBL27035780 | 0.67 | PLAT (0.41) | GABRA1PLATHRH3 | |
| SCHEMBL7468382 | 0.66 | IDO1 (0.35) | GABRA5 | |
| SCHEMBL999067 | 0.66 | IDO1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4575262 | 0.65 | IDO1 (0.33) | — | |
| SCHEMBL12017803 | 0.65 | HTR6 (0.46) | LMNACYP3A4GABRA1TSHRGABRG2 |
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 |