Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | EDNRA | P25101 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MCOLN2 | Q8IZK6 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | EDNRB | P24530 | 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 | |
|---|---|---|---|---|
| SCHEMBL532980 | 0.89 | JAK2 (0.48) | MEN1KMT2AALDH1A1EDNRAL3MBTL1 | |
| SCHEMBL533942 | 0.87 | L3MBTL1 (0.48) | MEN1KMT2AALDH1A1EDNRAL3MBTL1 | |
| SCHEMBL532939 | 0.85 | EDNRA (0.43) | MEN1KMT2AALDH1A1EDNRAL3MBTL1 | |
| SCHEMBL532038 | 0.85 | ALDH1A1 (0.54) | KMT2AALDH1A1EDNRAPOLBMAPT | |
| SCHEMBL533083 | 0.83 | EDNRA (0.46) | ALDH1A1EDNRAL3MBTL1POLBMAPT | |
| SCHEMBL533550 | 0.83 | HCRTR1 (0.47) | MEN1KMT2AEDNRAMAPTTSHR | |
| SCHEMBL533043 | 0.83 | ALDH1A1 (0.43) | MEN1KMT2AALDH1A1MAPTLMNA | |
| SCHEMBL533512 | 0.82 | SLC22A12 (0.44) | MEN1KMT2AALDH1A1L3MBTL1POLB | |
| SCHEMBL532999 | 0.82 | TP53 (0.48) | MEN1KMT2AALDH1A1BRD4CYP3A4 | |
| SCHEMBL532998 | 0.82 | JAK2 (0.37) | MEN1KMT2AALDH1A1L3MBTL1POLB |
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 |