Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GSK3B | P49841 | 6/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 2/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.38 |
| ▸ | CCND1 | P24385 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 4/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 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 | |
|---|---|---|---|---|
| SCHEMBL10619492 | 0.90 | ALDH1A1 (0.47) | ALDH1A1GSK3BSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL10616196 | 0.83 | ALDH1A1 (0.44) | ALDH1A1GSK3BSMN1; SMN2CDK1CDK4 | |
| SCHEMBL10618124 | 0.81 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2TP53CYP3A4CYP2D6 | |
| SCHEMBL10616695 | 0.80 | ALDH1A1 (0.51) | ALDH1A1GSK3BSMN1; SMN2CDK4CCND1 | |
| SCHEMBL10616264 | 0.80 | ALDH1A1 (0.59) | ALDH1A1GSK3BSMN1; SMN2CDK1CDK4 | |
| SCHEMBL10618842 | 0.80 | ALDH1A1 (0.51) | ALDH1A1GSK3BCDK1CDK4CCNB1 | |
| SCHEMBL11003962 | 0.79 | ALDH1A1 (0.49) | ALDH1A1GSK3BSMN1; SMN2CDK1CDK4 | |
| SCHEMBL10752505 | 0.78 | GPR84 (0.41) | ALDH1A1SMN1; SMN2CDK4CCND1CDK2 | |
| SCHEMBL10616279 | 0.76 | ALDH1A1 (0.53) | ALDH1A1GSK3BSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL10620618 | 0.76 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TP53CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0135367-B1 | THERAPEUTIC AGENTS | The Boots Company PLC (GB) | 1988-03-16 | — | — | EP | disclosed |
| US-4659718-A | VASODILATION | THE BOOTS COMPANY PLC (GB) | 1987-04-21 | — | — | US | disclosed |
| EP-0135367-A1 | Therapeutic agents | The Boots Company PLC (GB) | 1985-03-27 | — | — | EP | disclosed |