Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 9/20 | 1.00 |
| ▸ | MGMT | P16455 | 9/20 | 0.67 |
| ▸ | CDK1 | P06493 | 9/20 | 0.67 |
| ▸ | CCNB1 | P14635 | 9/20 | 0.67 |
| ▸ | CCNA2 | P20248 | 9/20 | 0.67 |
| ▸ | CDK2 | P24941 | 9/20 | 0.67 |
| ▸ | CCNA1 | P78396 | 9/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | BLM | P54132 | 1/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| 6-O-Benzylguanine SCHEMBL61740 | 0.80 | PIN1 (1.00) | PIN1MGMTCDK1CCNB1CCNA2 | |
| 6-O-Benzylguanine SCHEMBL31517079 | 0.80 | PIN1 (1.00) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL6270225 | 0.80 | PIN1 (0.67) | PIN1MGMTCDK1CCNB1CCNA2 | |
| 6-O-Benzylguanine SCHEMBL4631744 | 0.79 | PIN1 (0.97) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL29378279 | 0.77 | HTR3E (0.70) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL23124359 | 0.76 | MGMT (0.81) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL29749175 | 0.76 | MGMT (0.81) | PIN1MGMTCDK1CCNB1CCNA2 | |
| 6-O-Benzylguanine SCHEMBL4869639 | 0.75 | PIN1 (0.88) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL3300787 | 0.74 | PIN1 (0.76) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL23511144 | 0.74 | PIN1 (1.00) | PIN1MGMTCDK1CCNB1CCNA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017394-B1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER REC TECH LTD (GB) | 2005-12-07 | — | — | EP | claimed |
| US-6303618-B1 | ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2001-10-16 | — | — | US | claimed |
| EP-1017394-B1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER REC TECH LTD (GB) | 2005-12-07 | — | — | EP | disclosed |
| US-6303618-B1 | ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2001-10-16 | — | — | US | disclosed |
| WO-1999002162-A9 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RES CAMPAIGN TECH (GB) | 1999-07-29 | — | — | WO | disclosed |