Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | EDNRA | P25101 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | AGO2 | Q9UKV8 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TERT | O14746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL533017 | 0.90 | FFAR4 (0.55) | ALDH1A1MAPTSMN1; SMN2TDP1RECQL | |
| SCHEMBL534816 | 0.88 | MAPT (0.41) | ALDH1A1MAPTSMN1; SMN2RECQLHTR6 | |
| SCHEMBL533437 | 0.87 | CYTH2 (0.49) | ALDH1A1MAPTSMN1; SMN2TDP1RECQL | |
| SCHEMBL532880 | 0.87 | FFAR4 (0.56) | ALDH1A1MAPTSMN1; SMN2TDP1RECQL | |
| SCHEMBL533666 | 0.87 | FFAR4 (0.56) | ALDH1A1MAPTRECQLFFAR4MEN1 | |
| SCHEMBL532776 | 0.87 | FFAR4 (0.54) | ALDH1A1MAPTCYP3A4TDP1RECQL | |
| SCHEMBL533123 | 0.86 | FFAR4 (0.42) | ALDH1A1MAPTSMN1; SMN2TDP1RECQL | |
| SCHEMBL534044 | 0.85 | MAPT (0.43) | ALDH1A1MAPTSMN1; SMN2TDP1RECQL | |
| SCHEMBL533091 | 0.85 | BRPF1 (0.52) | ALDH1A1MAPTCYP3A4RECQLMEN1 | |
| SCHEMBL532953 | 0.85 | FFAR4 (0.59) | ALDH1A1MAPTSMN1; SMN2FFAR4MEN1 |
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 5 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 |
| WO-2004073634-A2 | PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS | ENCYSIVE PHARMACEUTICALS INC. (US) | 2004-09-02 | — | — | WO | disclosed |