Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24726412 | 0.92 | AAK1 (0.35) | APLNRCA12CA1CA2CA9 | |
| SCHEMBL30678226 | 0.92 | AAK1 (0.35) | APLNRCA12CA1CA2CA9 | |
| SCHEMBL18921453 | 0.88 | CTSS (0.41) | CTSKCTSSCES2CES1HDAC4 | |
| SCHEMBL29649069 | 0.88 | CTSS (0.41) | CTSKCTSSCES2CES1HDAC4 | |
| SCHEMBL24454657 | 0.88 | CTSS (0.41) | CTSKCTSSCES2CES1HDAC4 | |
| SCHEMBL29641349 | 0.88 | CTSS (0.41) | CTSKCTSSCES2CES1HDAC4 | |
| SCHEMBL18921432 | 0.87 | CTSS (0.40) | ADRB1CTSKCTSSSLC6A3MEN1 | |
| SCHEMBL22232743 | 0.81 | RIPK1 (0.50) | CA12CA1CTSKCTSS | |
| SCHEMBL22456387 | 0.81 | RIPK1 (0.50) | CA12CA1CTSKCTSS | |
| SCHEMBL18921533 | 0.81 | RIPK1 (0.50) | CA12CA1CTSKCTSS |
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-2020043173-A1 | HETEROCYCLIC COMPOUND AS RECEPTOR INTERACTING PROTEIN 1(RIP1) KINASE INHIBITOR | 宁波文达医药科技有限公司 | 2020-03-05 | — | — | WO | disclosed |