Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 7/20 | 0.37 |
| ▸ | CDK9 | P50750 | 4/20 | 0.37 |
| ▸ | CDK1 | P06493 | 14/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 10/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 9/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 8/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 6/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CCNK | O75909 | 1/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.35 |
| ▸ | CDK7 | P50613 | 4/20 | 0.35 |
| ▸ | CCNH | P51946 | 3/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.35 |
| ▸ | CDK4 | P11802 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20542017 | 0.84 | AHR (0.45) | CDK2CDK1CDK5CCNB1CDK5R1 | |
| SCHEMBL30579387 | 0.84 | AHR (0.45) | CDK2CDK1CDK5CCNB1CDK5R1 | |
| SCHEMBL28359163 | 0.82 | CDK2 (0.39) | CDK2CDK9CDK1CDK5CCNB1 | |
| SCHEMBL20541795 | 0.76 | CDK1 (0.43) | CDK1CDK5CCNB1CDK5R1CCNB2 | |
| SCHEMBL2313618 | 0.73 | CDK1 (0.47) | CDK2CDK9CDK1CDK5CCNB1 | |
| SCHEMBL20558099 | 0.73 | CDK1 (0.42) | CDK2CDK9CDK1CDK5CCNB1 | |
| SCHEMBL24966401 | 0.73 | CDK5 (0.42) | CDK2CDK1CDK5CCNB1CDK5R1 | |
| SCHEMBL2358698 | 0.73 | CCNE2 (0.56) | CDK2CDK1CDK5CCNB1CDK5R1 | |
| SCHEMBL2356743 | 0.72 | AHR (0.43) | CDK2CDK1CDK5CCNB1CDK5R1 | |
| SCHEMBL2358550 | 0.72 | CDK2 (0.44) | CDK2CDK9CDK1CDK5CCNB1 |
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-110831600-A | Indole AHR inhibitors and uses thereof | 金恩医疗公司 | 2020-02-21 | — | — | CN | disclosed |