Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 2/20 | 0.71 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NMT2 | O60551 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16698199 | 0.83 | EDNRA (0.68) | EDNRAGPR55MMP2MMP13HSD17B10 | |
| SCHEMBL3616780 | 0.83 | EDNRA (1.00) | EDNRAGPR55MMP2MMP13HSD17B10 | |
| SCHEMBL23532178 | 0.82 | KDM1A (0.52) | EDNRAMKNK2NPC1RAB9AMAPT | |
| SCHEMBL23532115 | 0.80 | KDM1A (0.60) | EDNRAMKNK2MMP2MMP13NPC1 | |
| SCHEMBL22010898 | 0.79 | MMP2 (0.47) | EDNRAMKNK2MMP2MMP13NPC1 | |
| SCHEMBL3607399 | 0.78 | KDM4E (0.76) | EDNRAHSD17B10KDM4ENPC1RAB9A | |
| SCHEMBL3602060 | 0.77 | EDNRA (0.68) | EDNRAHSD17B10KDM4ENPC1RAB9A | |
| SCHEMBL18702962 | 0.77 | EDNRA (0.48) | EDNRAHSD17B10KDM4ENPC1RAB9A | |
| SCHEMBL5242442 | 0.73 | NQO1 (0.46) | EDNRAHSD17B10KDM4EKMT2AMEN1 | |
| SCHEMBL4109825 | 0.73 | SMN1; SMN2 (0.62) | NPC1RAB9AKMT2ATSHRSMN1; SMN2 |
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-3557998-A1 | COMPOUNS, COMPOSITIONS AND METHODS OF USE | Aquinnah Pharmaceuticals Inc. (US) | 2019-10-30 | — | — | EP | disclosed |
| WO-2018119395-A1 | COMPOUNS, COMPOSITIONS AND METHODS OF USE | AQUINNAH PHARMACEUTICALS, INC. (US) | 2018-06-28 | — | — | WO | disclosed |