Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.41 |
| ▸ | UQCRB | P14927 | 2/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL533091 | 0.89 | BRPF1 (0.52) | HSD17B2TP53MAPTGAAKDM4E | |
| SCHEMBL14288685 | 0.83 | HSD11B1 (0.45) | HSD17B2TP53MAPTMAPK1L3MBTL1 | |
| SCHEMBL533017 | 0.76 | FFAR4 (0.55) | TP53MAPTGAAL3MBTL1KDM4E | |
| SCHEMBL8320623 | 0.76 | BRPF1 (0.48) | TP53MAPTMAPK1KDM4EPOLB | |
| SCHEMBL533025 | 0.75 | ACLY (0.45) | — | |
| SCHEMBL533666 | 0.74 | FFAR4 (0.56) | TP53MAPTGAAMAPK1L3MBTL1 | |
| SCHEMBL532880 | 0.74 | FFAR4 (0.56) | TP53MAPTGAAMAPK1L3MBTL1 | |
| SCHEMBL533437 | 0.74 | CYTH2 (0.49) | TP53MAPTGAAMAPK1KDM4E | |
| SCHEMBL533055 | 0.74 | ALDH1A1 (0.45) | MAPTKDM4EPOLBALDH1A1TDP1 | |
| SCHEMBL532776 | 0.73 | FFAR4 (0.54) | TP53MAPTGAAL3MBTL1POLB |
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 2 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 |