Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 12/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2558741 | 1.00 | GRM5 (0.52) | GRM5CYP1B1TYRCASP3CA12 | |
| SCHEMBL9478240 | 0.85 | GRM5 (0.55) | GRM5TYRCASP3 | |
| SCHEMBL3729290 | 0.84 | GRM5 (0.54) | GRM5TYRCASP3 | |
| SCHEMBL14338959 | 0.81 | RPS6KA2 (0.53) | GRM5CYP1B1TYRCASP3CA12 | |
| SCHEMBL6076008 | 0.81 | GRM5 (0.62) | GRM5CASP3CA12CA1CA2 | |
| SCHEMBL18669095 | 0.81 | RPS6KA2 (0.53) | GRM5CYP1B1TYRCASP3 | |
| SCHEMBL11081773 | 0.81 | MAPT (0.58) | GRM5TYRCASP3CA12CA1 | |
| SCHEMBL6095022 | 0.80 | TYR (0.64) | GRM5CYP1B1TYRCASP3CA12 | |
| SCHEMBL5957957 | 0.78 | TP53 (0.58) | GRM5CASP3 | |
| SCHEMBL8311470 | 0.78 | ALDH1A1 (0.52) | GRM5CASP3CA12CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114621135-B | LPA1 small molecule antagonist | 上海拓界生物医药科技有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-114621135-A | LPA1 small molecule antagonist | 上海拓界生物医药科技有限公司 | 2022-06-14 | — | — | CN | disclosed |