Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SLC22A12 | Q96S37 | 13/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL532980 | 0.86 | JAK2 (0.48) | TP53BRD4RXFP1CYP3A4CYP2C9 | |
| SCHEMBL533247 | 0.85 | CNR2 (0.39) | TP53SLC22A12KMT2A | |
| SCHEMBL532038 | 0.85 | ALDH1A1 (0.54) | TP53BRD4KMT2AALDH1A1 | |
| SCHEMBL533057 | 0.84 | ALPL (0.44) | SLC22A12BRD4MEN1KMT2AALDH1A1 | |
| SCHEMBL3976123 | 0.83 | MEN1 (0.45) | TP53SLC22A12CYP3A4MEN1KMT2A | |
| SCHEMBL532939 | 0.82 | EDNRA (0.43) | BRD4MEN1KMT2AALDH1A1 | |
| SCHEMBL534052 | 0.82 | MEN1 (0.47) | BRD4CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL533550 | 0.81 | HCRTR1 (0.47) | TP53MEN1KMT2AHCRTR1 | |
| SCHEMBL533083 | 0.81 | EDNRA (0.46) | HCRTR1ALDH1A1 | |
| SCHEMBL533512 | 0.80 | SLC22A12 (0.44) | SLC22A12MEN1KMT2AALDH1A1 |
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 |