Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 6/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | RRM1 | P23921 | 1/20 | 0.39 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | CCKBR | P32239 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 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 | |
|---|---|---|---|---|
| SCHEMBL533057 | 0.86 | ALPL (0.44) | ALPLIDH1KMT2A | |
| SCHEMBL533247 | 0.85 | CNR2 (0.39) | PPARGCCKBRKMT2AWDR5 | |
| SCHEMBL534065 | 0.81 | PKM (0.53) | ALPLKMT2AWDR5 | |
| SCHEMBL532936 | 0.76 | MCOLN3 (0.51) | ALPLKMT2A | |
| SCHEMBL5112344 | 0.75 | SLC40A1 (0.47) | — | |
| SCHEMBL532939 | 0.74 | EDNRA (0.43) | KMT2A | |
| SCHEMBL532999 | 0.74 | TP53 (0.48) | KMT2A | |
| SCHEMBL532980 | 0.73 | JAK2 (0.48) | PPARGKMT2A | |
| SCHEMBL532038 | 0.72 | ALDH1A1 (0.54) | KMT2A | |
| SCHEMBL534062 | 0.72 | ERAP1 (0.52) | KMT2A |
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-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 |