Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 5/20 | 0.56 |
| ▸ | AKR1C1 | Q04828 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.54 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.48 |
| ▸ | RXRB | P28702 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | ALAD | P13716 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10024251 | 0.83 | MCL1 (0.54) | AKR1C2AKR1C1NPC1RAB9AAURKA | |
| SCHEMBL14018381 | 0.83 | NPC1 (0.48) | AKR1C2AKR1C1NPC1RAB9AAURKA | |
| SCHEMBL27786187 | 0.82 | PTPN1 (0.58) | AKR1C2AKR1C1MCL1ALDH1A1 | |
| SCHEMBL27808113 | 0.81 | BCL2L1 (0.53) | AKR1C2AKR1C1MCL1RXRARXRB | |
| SCHEMBL28201908 | 0.81 | RXFP1 (0.51) | AKR1C2AKR1C1MCL1RXRARXRB | |
| SCHEMBL28201890 | 0.81 | TDP1 (0.53) | AKR1C2AKR1C1MCL1RXRARXRB | |
| SCHEMBL10024263 | 0.79 | RXRB (0.58) | AKR1C2AKR1C1NPC1RAB9AMCL1 | |
| SCHEMBL13537088 | 0.79 | AKR1C4 (0.56) | AKR1C2AKR1C1NPC1RAB9AAURKA | |
| SCHEMBL28840070 | 0.79 | ALDH1A1 (0.55) | AKR1C2AKR1C1AURKATPX2NOTUM | |
| SCHEMBL11064733 | 0.78 | MAP4K4 (0.50) | AKR1C2AKR1C1NPC1RAB9ATP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105473568-A | 1, 7-naphthyridine derivatives | HOFFMANN LA ROCHE | 2016-04-06 | — | — | CN | claimed |
| CN-104755473-B | 2,3 benzodiazepine * | 拜耳医药股份有限公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-105473568-A | 1, 7-naphthyridine derivatives | HOFFMANN LA ROCHE | 2016-04-06 | — | — | CN | disclosed |
| CN-104755473-A | 2,3-benzodiazepines | Bayer Pharma AG | 2015-07-01 | — | — | CN | disclosed |