Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1B | P47901 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 9/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5355338 | 0.96 | AVPR1B (0.38) | AVPR1BROCK2ROCK1NPC1LMNA | |
| SCHEMBL5219908 | 0.84 | FPR2 (0.38) | ROCK2ROCK1LMNASMN1; SMN2KMT2A | |
| SCHEMBL6079748 | 0.81 | NPC1 (0.39) | AVPR1BROCK2ROCK1NPC1LMNA | |
| SCHEMBL5218299 | 0.69 | MAPT (0.53) | NPC1LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL5220723 | 0.68 | SMN1; SMN2 (0.45) | AVPR1BNPC1LMNASMN1; SMN2MEN1 | |
| SCHEMBL5219021 | 0.67 | MAPT (0.42) | AVPR1BNPC1LMNASMN1; SMN2MEN1 | |
| SCHEMBL5224182 | 0.67 | MAPT (0.41) | AVPR1BNPC1LMNASMN1; SMN2MEN1 | |
| SCHEMBL5215826 | 0.66 | MAPT (0.47) | NPC1LMNASMN1; SMN2MEN1KMT2A | |
| Cyclopropane SCHEMBL27714655 | 0.66 | AOC3 (0.43) | AVPR1BNPC1LMNASMN1; SMN2MEN1 | |
| SCHEMBL5353328 | 0.66 | IDH2 (0.44) | — |
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-7183300-B2 | Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof | UNIVERSITY OF MARYLAND BALTIMORE COUNTY | 2007-02-27 | — | — | US | disclosed |
| US-7183300-B2 | Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof | UNIVERSITY OF MARYLAND BALTIMORE COUNTY | 2007-02-27 | — | — | US | disclosed |