Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 8/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 5/20 | 0.41 |
| ▸ | CDK1 | P06493 | 3/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.41 |
| ▸ | CCR6 | P51684 | 4/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 2/20 | 0.39 |
| ▸ | CCND3 | P30281 | 2/20 | 0.39 |
| ▸ | CDK7 | P50613 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26919395 | 1.00 | IKBKB (0.43) | IKBKBMAPK8TRPV1CHUKMAPK9 | |
| SCHEMBL26919405 | 1.00 | IKBKB (0.43) | IKBKBMAPK8TRPV1CHUKMAPK9 | |
| Hydrochloric Acid SCHEMBL26918989 | 0.99 | IKBKB (0.42) | IKBKBMAPK8TRPV1CHUKMAPK9 | |
| Hydrochloric Acid SCHEMBL26918985 | 0.99 | IKBKB (0.42) | IKBKBMAPK8TRPV1CHUKMAPK9 | |
| Hydrochloric Acid SCHEMBL29763104 | 0.99 | IKBKB (0.42) | IKBKBMAPK8TRPV1CHUKMAPK9 | |
| SCHEMBL26943306 | 0.94 | IKBKB (0.42) | IKBKBMAPK8TRPV1CHUKMAPK9 | |
| SCHEMBL26943396 | 0.91 | CDK2 (0.39) | IKBKBTRPV1CDK2CDK1CCNB1 | |
| SCHEMBL26946795 | 0.91 | TRPV1 (0.38) | IKBKBMAPK8TRPV1CHUKMAPK9 | |
| SCHEMBL29763014 | 0.89 | IKBKB (0.42) | IKBKBMAPK8TRPV1CHUKMAPK9 | |
| SCHEMBL26918665 | 0.89 | IKBKB (0.42) | IKBKBMAPK8TRPV1CHUKMAPK9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022166793-A1 | CDK INHIBITOR | 上海齐鲁制药研究中心有限公司 | 2022-08-11 | — | — | WO | disclosed |