Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL532979 | 1.00 | ALDH1A1 (0.45) | ALDH1A1TSHRALOX15LMNAHTT | |
| SCHEMBL532776 | 0.80 | FFAR4 (0.54) | ALDH1A1TSHRALOX15LMNAKMT2A | |
| SCHEMBL533164 | 0.77 | PTGES2 (0.39) | LMNAKMT2APOLBPTGES2MEN1 | |
| SCHEMBL532980 | 0.77 | JAK2 (0.48) | ALDH1A1TSHRLMNAHTTKMT2A | |
| SCHEMBL532988 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TSHRKMT2APOLBMAPK1 | |
| SCHEMBL534077 | 0.76 | TSHR (0.47) | ALDH1A1TSHRLMNAKMT2APOLB | |
| SCHEMBL533083 | 0.74 | EDNRA (0.46) | ALDH1A1LMNAPOLBSMN1; SMN2 | |
| SCHEMBL10092379 | 0.74 | ALDH1A1 (0.31) | ALDH1A1HTTPOLBSMN1; SMN2 | |
| SCHEMBL532038 | 0.74 | ALDH1A1 (0.54) | ALDH1A1TSHRLMNAKMT2APOLB | |
| SCHEMBL532939 | 0.74 | EDNRA (0.43) | ALDH1A1KMT2APOLBGAAMEN1 |
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 |