Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | CXCR5 | P32302 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317224 | 0.84 | ESR1 (0.35) | ESR1KCNH2ALDH1A1ITGB3ITGB1 | |
| SCHEMBL7308293 | 0.81 | KCNH2 (0.41) | ESR1KCNH2HPGDSIGMAR1LMNA | |
| SCHEMBL7311696 | 0.78 | ESR1 (0.44) | ESR1KCNH2ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL8601665 | 0.77 | CD44 (0.41) | ESR1KCNH2ALDH1A1HTTL3MBTL1 | |
| SCHEMBL28474465 | 0.74 | KDM4E (0.51) | ALDH1A1KDM4EHPGDTDP1CD44 | |
| SCHEMBL11278306 | 0.74 | CD274 (0.40) | ALDH1A1HTTL3MBTL1ITGB1ITGA5 | |
| SCHEMBL11273899 | 0.74 | CD274 (0.40) | ALDH1A1HTTL3MBTL1ITGB1ITGA5 | |
| SCHEMBL27876812 | 0.73 | CD44 (0.43) | ESR1KCNH2ALDH1A1HTTL3MBTL1 | |
| SCHEMBL7310785 | 0.72 | AKR1B1 (0.34) | ALDH1A1ITGB3ITGB1ITGAVITGA5 | |
| SCHEMBL7315192 | 0.72 | S1PR4 (0.39) | ALDH1A1ITGB3ITGB1ITGAVITGA5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE31617-E | ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS | BRISTOL-MYERS COMPANY (US) | 1984-06-26 | — | — | US | disclosed |
| US-3932407-A | BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS | BRISTOL-MYERS COMPANY (US) | 1976-01-13 | — | — | US | disclosed |