Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 1/20 | 0.57 |
| ▸ | NQO2 | P16083 | 8/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TOP1 | P11387 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 2/20 | 0.48 |
| ▸ | F10 | P00742 | 1/20 | 0.48 |
| ▸ | F12 | P00748 | 1/20 | 0.48 |
| ▸ | F7 | P08709 | 1/20 | 0.48 |
| ▸ | F3 | P13726 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TOP2A | P11388 | 1/20 | 0.47 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6605604 | 0.81 | CYP2C19 (0.48) | ALDH1A1HPGDHSD17B10TDP1BLM | |
| SCHEMBL10469452 | 0.76 | TSHR (0.48) | — | |
| SCHEMBL6611172 | 0.74 | MAPT (0.57) | ALDH1A1HPGDKMT2ALMNA | |
| SCHEMBL9057820 | 0.74 | WDR5 (0.57) | WDR5NQO2F2F10F12 | |
| SCHEMBL1411316 | 0.74 | MMP3 (0.48) | ALDH1A1HPGDHSD17B10TDP1PKM | |
| SCHEMBL6607460 | 0.74 | CYP3A4 (0.48) | ALDH1A1HPGDCASP1CASP7HSD17B10 | |
| SCHEMBL8169396 | 0.74 | NQO2 (0.44) | WDR5NQO2ALDH1A1TOP1HPGD | |
| SCHEMBL7191695 | 0.74 | NQO2 (0.44) | WDR5NQO2ALDH1A1TOP1HPGD | |
| SCHEMBL769959 | 0.73 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL25097 | 0.73 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TDP1 |
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 |