Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | BCL2L11 | O43521 | 1/20 | 0.34 |
| ▸ | BID | P55957 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 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 | |
|---|---|---|---|---|
| SCHEMBL14288343 | 0.78 | CDK4 (0.41) | KDM4ECDK4CCND1CDK6ALDH1A1 | |
| SCHEMBL20666274 | 0.75 | CDK4 (0.37) | ADORA1KDM4ECDK4CCND1CDK6 | |
| SCHEMBL11832003 | 0.75 | UGT2B7 (0.49) | KDM4ECDK4CCND1CDK6HPGD | |
| SCHEMBL21164372 | 0.74 | BCL2L11 (0.40) | ADORA1KDM4ECDK4CCND1CDK6 | |
| SCHEMBL11827253 | 0.73 | AKR1C3 (0.61) | AKR1C3AKR1C2 | |
| SCHEMBL12695592 | 0.73 | BACE1 (0.57) | ADORA1KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL23848110 | 0.73 | ABCB11 (0.43) | CDK4CCND1CDK6ALDH1A1HPGD | |
| SCHEMBL11839847 | 0.72 | AKR1C3 (0.37) | ADORA1KDM4ECDK4CCND1CDK6 | |
| SCHEMBL4574921 | 0.71 | SLC6A2 (0.51) | KMT2ASLC6A3CYP3A4CYP2D6SLC6A2 | |
| Benzene SCHEMBL27589371 | 0.71 | KDM4E (0.52) | KDM4EALDH1A1NPC1RAB9AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-103242231-B | Quinoline derivatives and preparation method thereof and application | TIANJIN GREENPINE PHARMA CO., LTD. (CN) | 2015-10-28 | — | — | CN | disclosed |