Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 13/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 13/20 | 0.40 |
| ▸ | CDK1 | P06493 | 10/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 9/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 9/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 9/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | CCNK | O75909 | 1/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 5/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CCNH | P51946 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20542014 | 1.00 | CDK5 (0.40) | CDK5CDK5R1CDK1CCNB2CCNB1 | |
| SCHEMBL20541983 | 0.92 | NTRK1 (0.41) | CDK5CDK5R1CDK1CCNB2CCNB1 | |
| SCHEMBL20557731 | 0.88 | CDK5 (0.41) | CDK5CDK5R1CDK1CCNB2CCNB1 | |
| SCHEMBL30579354 | 0.87 | AHR (0.43) | CDK5CDK5R1CDK1CCNB2CCNB1 | |
| SCHEMBL2356743 | 0.87 | AHR (0.43) | CDK5CDK5R1CDK1CCNB2CCNB1 | |
| SCHEMBL20542274 | 0.86 | CDK5 (0.40) | CDK5CDK5R1CDK1CCNB2CCNB1 | |
| SCHEMBL21240842 | 0.80 | CDK2 (0.42) | CDK5CDK5R1CDK1CCNB2CCNB1 | |
| SCHEMBL2316607 | 0.78 | CDK2 (0.44) | CDK5CDK5R1CDK1CCNB2CCNB1 | |
| SCHEMBL30315335 | 0.78 | CDK2 (0.44) | CDK5CDK5R1CDK1CCNB2CCNB1 | |
| SCHEMBL2358503 | 0.78 | CDK2 (0.43) | CDK5CDK5R1CDK1CCNB2CCNB1 |
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-B | Indole AHR inhibitors and uses thereof | 医肯纳肿瘤学公司 | 2023-10-17 | — | — | CN | disclosed |