Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1333185 | 0.86 | ALDH1A1 (0.73) | ALDH1A1TSHRGLAMEN1KMT2A | |
| SCHEMBL28293655 | 0.86 | ALDH1A1 (0.54) | ALDH1A1TSHRGLAMEN1KMT2A | |
| Water SCHEMBL27256325 | 0.84 | ALDH1A1 (0.70) | ALDH1A1TSHRGLAMEN1KMT2A | |
| SCHEMBL11262493 | 0.76 | ALDH1A1 (0.58) | ALDH1A1TSHRGLAMEN1KMT2A | |
| SCHEMBL25978857 | 0.73 | ALDH1A1 (0.70) | ALDH1A1TSHRGLAMEN1KMT2A | |
| SCHEMBL9676609 | 0.73 | ALDH1A1 (0.53) | ALDH1A1TSHRGLAMEN1KMT2A | |
| SCHEMBL380050 | 0.73 | ALDH1A1 (0.76) | ALDH1A1TSHRGLAMEN1KMT2A | |
| SCHEMBL1185690 | 0.73 | ALDH1A1 (0.76) | ALDH1A1TSHRGLAMEN1KMT2A | |
| SCHEMBL263716 | 0.73 | ALDH1A1 (1.00) | ALDH1A1TSHRGLAMEN1KMT2A | |
| SCHEMBL10099720 | 0.73 | MEN1 (0.62) | ALDH1A1TSHRGLAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106866488-B | A kind of synthetic method of the fluoro- 4- pyrroline-2-one compound of 3,3- bis- | 安阳师范学院 | 2019-04-26 | — | — | CN | disclosed |