Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 2/20 | 0.56 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2642996 | 1.00 | PSIP1 (0.56) | PSIP1HSD17B1HSD17B2ALDH1A1CYP3A4 | |
| SCHEMBL11331630 | 0.86 | HSD17B1 (0.47) | PSIP1HSD17B1HSD17B2ALDH1A1CYP3A4 | |
| SCHEMBL17263850 | 0.84 | PSIP1 (0.68) | PSIP1ALDH1A1CYP3A4CA2LMNA | |
| SCHEMBL31385343 | 0.83 | HSD17B1 (0.45) | HSD17B1HSD17B2ALDH1A1CYP3A4CA2 | |
| SCHEMBL10085540 | 0.82 | HSD17B2 (0.46) | HSD17B1HSD17B2ALDH1A1CYP3A4CA2 | |
| Phenol SCHEMBL28291911 | 0.81 | PSIP1 (0.78) | PSIP1ALDH1A1CA2CA12CA9 | |
| SCHEMBL11693054 | 0.81 | ESR1 (0.48) | HSD17B1HSD17B2CA2CA12CA9 | |
| SCHEMBL9162922 | 0.80 | CA2 (0.48) | HSD17B1HSD17B2ALDH1A1CYP3A4CA2 | |
| SCHEMBL644484 | 0.80 | MEN1 (0.53) | PSIP1HSD17B1HSD17B2CYP3A4CYP1A2 | |
| SCHEMBL8132585 | 0.79 | PSIP1 (0.56) | PSIP1ALDH1A1CA2HSD17B10TSHR |
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-109563103-B | Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2022-05-27 | — | — | CN | disclosed |