Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HEXA | P06865 | 1/20 | 0.35 |
| ▸ | HEXB | P07686 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9691685 | 0.86 | MCL1 (0.36) | S1PR1RAB9ANPC1CASP3SMN1; SMN2 | |
| SCHEMBL6904484 | 0.82 | ALDH1A1 (0.37) | RAB9ANPC1SMN1; SMN2HTR7KDM4E | |
| SCHEMBL15811767 | 0.79 | MAPT (0.42) | RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL15811768 | 0.76 | INPPL1 (0.49) | CYP1A2CYP2C19KDM4EALDH1A1GAA | |
| SCHEMBL3355661 | 0.75 | MYC (0.47) | RAB9ANPC1CASP3SMN1; SMN2SENP8 | |
| SCHEMBL13593491 | 0.75 | TSHR (0.46) | RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL5461155 | 0.72 | ALDH1A1 (0.50) | RAB9ASMN1; SMN2HTR7KDM4EALDH1A1 | |
| SCHEMBL1884446 | 0.71 | CRHR1 (0.36) | RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL1887090 | 0.71 | MAPT (0.48) | SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL28060619 | 0.71 | TOP1 (0.48) | S1PR1RAB9ASMN1; SMN2HTR7KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0510689-A1 | Hydrocyanation of pentenenitriles using cyanohydrins | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-10-28 | — | — | EP | disclosed |