Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | TGM2 | P21980 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12468984 | 0.82 | ALDH1A1 (0.53) | ALDH1A1GAAHDAC1TGM2KMT2A | |
| SCHEMBL24451230 | 0.79 | ALDH1A1 (0.55) | ALDH1A1GAAHDAC1TGM2KMT2A | |
| SCHEMBL18530076 | 0.79 | ALDH1A1 (0.52) | ALDH1A1GAAHDAC1TGM2KMT2A | |
| SCHEMBL11736618 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HDAC1KMT2AMEN1POLB | |
| SCHEMBL2286282 | 0.78 | ALDH1A1 (0.48) | ALDH1A1GAAHDAC1TGM2KMT2A | |
| SCHEMBL105644 | 0.78 | ALDH1A1 (0.48) | ALDH1A1GAAHDAC1RAB9ANPC1 | |
| SCHEMBL959209 | 0.77 | KMT2A (0.40) | ALDH1A1GAAKMT2AMEN1RAB9A | |
| SCHEMBL4398555 | 0.77 | GAA (0.53) | ALDH1A1GAAHDAC1 | |
| SCHEMBL23982911 | 0.77 | ALDH1A1 (0.47) | ALDH1A1GAAHDAC1TGM2KMT2A | |
| SCHEMBL13271309 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GAAHDAC1TGM2KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018072614-A1 | QUINOLINYL-SUBSTITUTED CARBOXYLIC ACID COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 北京康辰药业股份有限公司 | 2018-04-26 | — | — | WO | disclosed |