Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 7/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | ATM | Q13315 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8322542 | 0.88 | HTT (0.39) | KMT2ANPSR1CYP2C19MEN1CYP3A4 | |
| SCHEMBL533027 | 0.87 | RAB9A (0.56) | KMT2ANPSR1CYP2C19MEN1CYP3A4 | |
| SCHEMBL532950 | 0.87 | KMT2A (0.56) | KMT2ANPSR1CYP2C19MEN1CYP3A4 | |
| SCHEMBL533977 | 0.83 | GAA (0.57) | KMT2ANPSR1CYP2C19CYP3A4RAB9A | |
| SCHEMBL532034 | 0.83 | NPC1 (0.57) | KMT2AMEN1RAB9AALDH1A1HPGD | |
| SCHEMBL532972 | 0.82 | POLB (0.44) | KMT2ANPSR1CYP2C19MEN1CYP3A4 | |
| SCHEMBL532983 | 0.81 | MAPT (0.46) | KMT2ANPSR1CYP2C19MEN1CYP3A4 | |
| SCHEMBL532849 | 0.81 | SMN1; SMN2 (0.49) | KMT2AMEN1RAB9AALDH1A1HPGD | |
| SCHEMBL533054 | 0.81 | MAPT (0.45) | KMT2AMEN1RAB9AALDH1A1TSHR | |
| SCHEMBL532941 | 0.81 | MAPT (0.51) | KMT2AMEN1RAB9AALDH1A1HPGD |
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 |