Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.32 |
| ▸ | GUSB | P08236 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11859588 | 0.76 | ALDH1A1 (0.43) | ALDH1A1EPHX1TSHRTHRBALOX5 | |
| SCHEMBL11033685 | 0.75 | ALDH1A1 (0.41) | ALDH1A1EPHX1TSHRTHRBALOX5 | |
| SCHEMBL22471680 | 0.74 | ALDH1A1 (0.41) | ALDH1A1EPHX1TSHRTHRBALOX5 | |
| SCHEMBL17351132 | 0.74 | ALDH1A1 (0.41) | ALDH1A1EPHX1TSHRTHRBGBA1 | |
| SCHEMBL17536922 | 0.73 | ALDH1A1 (0.39) | ALDH1A1EPHX1TSHRTHRBALOX5 | |
| Ammonia Solution, Strong SCHEMBL22283017 | 0.73 | ALDH1A1 (0.39) | ALDH1A1EPHX1TSHRTHRBALOX5 | |
| SCHEMBL5986589 | 0.73 | ALDH1A1 (0.39) | ALDH1A1EPHX1TSHRTHRBALOX5 | |
| SCHEMBL24769050 | 0.65 | — | — | |
| SCHEMBL19063365 | 0.64 | TSHR (0.57) | ALDH1A1EPHX1TSHRTHRB | |
| Decane SCHEMBL10731325 | 0.62 | TSHR (0.80) | ALDH1A1TSHRTHRB |
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-114828958-A | Cycloalkyl-containing carboxylic acids and use thereof | 里米诺生物科学有限公司 | 2022-07-29 | — | — | CN | disclosed |