Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7315180 | 0.81 | ESR1 (0.39) | KCNH2ESR1HPGDSIGMAR1LMNA | |
| SCHEMBL7317224 | 0.80 | ESR1 (0.35) | KCNH2ESR1CYP1A2CYP2D6SIGMAR1 | |
| SCHEMBL7311696 | 0.74 | ESR1 (0.44) | KCNH2ESR1SIGMAR1LMNA | |
| SCHEMBL7308299 | 0.73 | CTSK (0.41) | KCNH2EPHX2CYP3A4CTSKRBP4 | |
| SCHEMBL10700857 | 0.73 | TAAR1 (0.35) | KCNH2ESR1HTR2AHTR2BHTR2C | |
| SCHEMBL31022613 | 0.72 | FFAR1 (0.45) | EPHX2RBP4MAPT | |
| SCHEMBL28728482 | 0.71 | HTR2A (0.68) | KCNH2CYP3A4USP2ADRA2CHTR2A | |
| SCHEMBL10706975 | 0.69 | TAAR1 (0.33) | KCNH2ESR1PPARG | |
| SCHEMBL7310785 | 0.69 | AKR1B1 (0.34) | ADRA1AADRB1HPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL8986800 | 0.68 | NPC1 (0.62) | CYP3A4CYP1A2CYP2D6SIGMAR1LMNA |
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 |