Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 19/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL534027 | 0.77 | ACLY (0.55) | ACLYACACBACACA | |
| SCHEMBL533172 | 0.76 | HSD17B2 (0.43) | KMT2A | |
| SCHEMBL532942 | 0.76 | ACLY (0.51) | ACLY | |
| SCHEMBL533156 | 0.75 | ACLY (0.56) | ACLY | |
| SCHEMBL533141 | 0.73 | ACLY (0.63) | ACLY | |
| SCHEMBL532815 | 0.70 | ACLY (0.53) | ACLY | |
| SCHEMBL533015 | 0.69 | ACLY (0.54) | ACLY | |
| SCHEMBL14288686 | 0.69 | ACLY (0.51) | ACLYKMT2A | |
| SCHEMBL8321880 | 0.68 | ACLY (0.47) | ACLY | |
| SCHEMBL532884 | 0.68 | ACLY (0.52) | ACLY |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2415760-A2 | CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2012-02-08 | — | — | EP | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |