Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.39 |
| ▸ | PRSS12 | P56730 | 3/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | KLK1 | P06870 | 1/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9252912 | 0.93 | ITGB3 (0.43) | BRD4HDAC1HDAC8HDAC6HDAC3 | |
| SCHEMBL9252426 | 0.91 | PRSS12 (0.39) | HDAC1HDAC8HDAC6HDAC3HDAC2 | |
| SCHEMBL9255062 | 0.90 | CHEK2 (0.40) | BRD4HDAC1HDAC8HDAC6HDAC3 | |
| SCHEMBL9249905 | 0.89 | CHEK2 (0.39) | NPC1RAB9AHDAC1HDAC8HDAC6 | |
| SCHEMBL9256882 | 0.88 | CHEK2 (0.38) | BRD4HDAC1HDAC8HDAC6HDAC3 | |
| SCHEMBL9251414 | 0.87 | CHEK2 (0.38) | HDAC1HDAC8HDAC6HDAC3HDAC2 | |
| SCHEMBL9255518 | 0.86 | CHEK2 (0.41) | RAB9ABRD4HDAC1HDAC8HDAC6 | |
| Acetic Acid SCHEMBL9256132 | 0.86 | CHEK2 (0.39) | NPC1RAB9AHDAC1HDAC8HDAC6 | |
| SCHEMBL8863519 | 0.86 | HDAC1 (0.52) | NPC1RAB9AHDAC1HDAC8HDAC6 | |
| SCHEMBL9254880 | 0.86 | CHEK2 (0.49) | NPC1RAB9AHDAC1HDAC8HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5434150-A | Anticoagulants, cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1995-07-18 | — | — | US | disclosed |
| EP-0531883-A1 | Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1993-03-17 | — | — | EP | disclosed |