Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 2/20 | 0.46 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.43 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL533016 | 0.90 | ALPL (0.49) | ALPLERAP1ERAP2TP53MAPT | |
| SCHEMBL8314837 | 0.89 | MAPT (0.39) | MAPTALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL533538 | 0.86 | MCL1 (0.39) | TP53MAPTALDH1A1L3MBTL1MEN1 | |
| SCHEMBL534062 | 0.84 | ERAP1 (0.52) | ERAP1TP53ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL532935 | 0.83 | ALDH1A1 (0.53) | TP53MAPTALDH1A1L3MBTL1RECQL | |
| SCHEMBL534065 | 0.83 | PKM (0.53) | ALPLGLAL3MBTL1PKMKMT2A | |
| SCHEMBL14288678 | 0.83 | ALDH1A1 (0.52) | ALPLTP53ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL532980 | 0.80 | JAK2 (0.48) | TP53MAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL533083 | 0.79 | EDNRA (0.46) | MAPTALDH1A1L3MBTL1 | |
| SCHEMBL532936 | 0.78 | MCOLN3 (0.51) | ALPLERAP1TP53ALDH1A1TSHR |
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 |