Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | PPIA | P62937 | 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 | |
|---|---|---|---|---|
| SCHEMBL9726458 | 0.80 | ALDH1A1 (0.67) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL18713609 | 0.79 | TYK2 (0.55) | ALDH1A1CYP3A4TYK2MAPT | |
| SCHEMBL80182 | 0.78 | ALDH1A1 (0.64) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL80183 | 0.78 | ALDH1A1 (0.64) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL103586 | 0.78 | ALDH1A1 (1.00) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL976845 | 0.76 | ALDH1A1 (0.61) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL783928 | 0.76 | ALDH1A1 (0.61) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL2092585 | 0.76 | ALDH1A1 (0.61) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL11652644 | 0.76 | ALDH1A1 (0.61) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL320037 | 0.76 | ALDH1A1 (0.61) | ALDH1A1FEN1HPGDNPC1GLA |
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-2018054300-A1 | CHOLIC ACID DERIVATIVE FREE ALKALI, CRYSTALLINE FORM, PREPARATION METHODS THEREFOR AND APPLICATIONS THEREOF | 江苏豪森药业集团有限公司 | 2018-03-29 | — | — | WO | disclosed |