Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22403920 | 1.00 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1LMNAKMT2A | |
| SCHEMBL9724498 | 0.88 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1LMNAKMT2A | |
| SCHEMBL4955877 | 0.88 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1LMNAKMT2A | |
| SCHEMBL18334358 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1LMNAKMT2A | |
| SCHEMBL18858339 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1LMNAKMT2A | |
| SCHEMBL25984102 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1LMNAKMT2A | |
| SCHEMBL18334359 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1LMNAKMT2A | |
| SCHEMBL28377873 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1LMNAKMT2A | |
| SCHEMBL21921367 | 0.82 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1LMNAKMT2A | |
| SCHEMBL18334374 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3939591-A1 | QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS | Achillion Pharmaceuticals, Inc. (US) | 2022-01-19 | — | — | EP | disclosed |