Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7306213 | 0.79 | POLB (0.49) | ALDH1A1POLBCYP2C19TSHRTDP1 | |
| SCHEMBL7317224 | 0.79 | ESR1 (0.35) | CYP1A2ALDH1A1CYP2C19TSHRRAB9A | |
| SCHEMBL7312548 | 0.79 | ALDH1A1 (0.38) | FBP1CYP1A2ALDH1A1POLBCYP3A4 | |
| SCHEMBL6779354 | 0.78 | ALDH1A1 (0.40) | FBP1CYP1A2ALDH1A1POLBTSHR | |
| SCHEMBL16397785 | 0.76 | GPR35 (0.46) | FBP1CYP1A2ALDH1A1POLBTSHR | |
| SCHEMBL6936036 | 0.76 | GPR35 (0.46) | FBP1CYP1A2ALDH1A1POLBTSHR | |
| SCHEMBL17673191 | 0.74 | CYP1A2 (0.47) | CYP1A2ALDH1A1POLBCYP3A4CYP2C19 | |
| SCHEMBL19518237 | 0.74 | CYP1A2 (0.47) | CYP1A2ALDH1A1POLBCYP3A4CYP2C19 | |
| SCHEMBL7315272 | 0.73 | FBP1 (0.39) | FBP1CYP1A2ALDH1A1POLBCYP3A4 | |
| Acetic Acid SCHEMBL28222560 | 0.73 | TDP1 (0.44) | FBP1CYP1A2ALDH1A1POLBTSHR |
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 |