Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | HPGD | P15428 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.54 |
| ▸ | BCHE | P06276 | 3/20 | 0.54 |
| ▸ | ACHE | P22303 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL543021 | 0.90 | BAD (0.56) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 | |
| Fagaridine SCHEMBL29369428 | 0.83 | ALDH1A1 (0.77) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 | |
| Fagaridine SCHEMBL108986 | 0.83 | ALDH1A1 (0.77) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 | |
| Fagaridine SCHEMBL6961260 | 0.82 | ALDH1A1 (0.78) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 | |
| Fagaridine SCHEMBL8711761 | 0.82 | ALDH1A1 (0.76) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 | |
| Fagaridine SCHEMBL9547964 | 0.82 | ALDH1A1 (0.76) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 | |
| SCHEMBL543020 | 0.81 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 | |
| Fagaridine SCHEMBL31756471 | 0.79 | ALDH1A1 (0.65) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 | |
| Fagaridine SCHEMBL8310818 | 0.78 | ALDH1A1 (0.69) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 | |
| Fagaridine SCHEMBL8310820 | 0.78 | ALDH1A1 (0.69) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 |
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-110272426-B | Alkynyl (hetero) aromatic ring compounds for inhibiting protein kinase activity | 深圳市塔吉瑞生物医药有限公司 | 2022-05-31 | — | — | CN | disclosed |