Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7461054 | 0.89 | SMN1; SMN2 (0.57) | LCKSMN1; SMN2CCNB2CDK1CDK4 | |
| SCHEMBL8671070 | 0.86 | SMN1; SMN2 (0.50) | LCKSMN1; SMN2CCNB2CDK1CDK4 | |
| SCHEMBL4348469 | 0.82 | ESR1 (0.45) | CA12CA9CA14CA2LMNA | |
| SCHEMBL8668773 | 0.79 | ABAT (0.50) | CA12CA5ACA9CA14CA5B | |
| SCHEMBL8711791 | 0.77 | SMN1; SMN2 (0.53) | SMN1; SMN2MMP1MMP2MMP9LMNA | |
| SCHEMBL5616774 | 0.75 | LCK (0.54) | LCKSMN1; SMN2CCNB2CDK1CDK4 | |
| SCHEMBL28099212 | 0.75 | LCK (0.54) | LCKSMN1; SMN2CCNB2CDK1CDK4 | |
| SCHEMBL2528043 | 0.74 | TAAR1 (0.50) | MMP1MMP2MMP9CA12CA5A | |
| SCHEMBL28292226 | 0.74 | LCK (0.52) | LCKSMN1; SMN2CCNB2CDK1CDK4 | |
| 4-Hydroxybenzaldehyde SCHEMBL15936324 | 0.72 | ALDH5A1 (0.67) | LCKCCNB2CDK1CDK4CCNB1 |
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-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |