Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PTPRB | P23467 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5112329 | 0.81 | NPSR1 (0.46) | MEN1KMT2AGAAKDM4ECYP3A4 | |
| SCHEMBL532895 | 0.81 | ALOX15 (0.43) | MEN1KMT2AALDH1A1GAAMAPT | |
| SCHEMBL532849 | 0.80 | SMN1; SMN2 (0.49) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL532995 | 0.80 | NPC1 (0.54) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL532040 | 0.80 | GFER (0.61) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL532794 | 0.79 | POLB (0.45) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL533064 | 0.79 | MAPT (0.56) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL532950 | 0.79 | KMT2A (0.56) | MEN1KMT2AALDH1A1GAAMAPT | |
| SCHEMBL532997 | 0.79 | ACLY (0.39) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL533966 | 0.78 | POLB (0.44) | MEN1KMT2AALDH1A1GAAKDM4E |
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 |