Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 4/20 | 0.42 |
| ▸ | MGMT | P16455 | 4/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL821881 | 0.84 | CDK1 (0.46) | CDK1MGMTCCNB1CCNA2CDK2 | |
| SCHEMBL16549303 | 0.82 | PIN1 (0.44) | TRPA1PIN1LMNAADORA2ANPC1 | |
| SCHEMBL12227593 | 0.81 | CDK1 (0.43) | CDK1MGMTCCNB1CCNA2CDK2 | |
| SCHEMBL23977545 | 0.81 | HAO1 (0.45) | CDK1MGMTCCNB1CCNA2CDK2 | |
| SCHEMBL2623130 | 0.80 | TRPA1 (0.58) | TRPA1NUDT1CYP1A2CYP2C9TSHR | |
| 6-O-Benzylguanine SCHEMBL600698 | 0.79 | MGMT (0.63) | NUDT1CDK1MGMTCCNB1CCNA2 | |
| 6-O-Benzylguanine SCHEMBL29405347 | 0.79 | MGMT (0.63) | NUDT1CDK1MGMTCCNB1CCNA2 | |
| 6-O-Benzylguanine SCHEMBL4631743 | 0.78 | MGMT (0.61) | NUDT1CDK1MGMTCCNB1CCNA2 | |
| SCHEMBL8619366 | 0.77 | CDK1 (0.38) | CDK1MGMTCCNB1CCNA2CDK2 | |
| SCHEMBL2930274 | 0.76 | CDK1 (0.42) | CDK1MGMTCCNB1CCNA2CDK2 |
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-5153318-A | Viricides for hepatitis and human t-cell leukemia/lymphoma viruses | BURROUGHS WELLCOME CO. (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0421739-A1 | 3'-azido purine nucleoside | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-04-10 | — | — | EP | disclosed |