Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19692848 | 1.00 | AKR1C3 (0.44) | AKR1C3PKMHTR6HSD17B1HSD17B2 | |
| SCHEMBL19707178 | 0.93 | DRD2 (0.47) | AKR1C3PKMHTR6HSD17B1HSD17B2 | |
| SCHEMBL19707128 | 0.93 | DRD2 (0.44) | AKR1C3PKMHTR6HSD17B1HSD17B2 | |
| Bicarbonate SCHEMBL28290487 | 0.92 | AKR1C3 (0.43) | AKR1C3PKMHTR6HSD17B1HSD17B2 | |
| SCHEMBL1526272 | 0.78 | ENPP2 (0.42) | AKR1C3ALDH1A1DRD2HTR2AKCNH2 | |
| SCHEMBL17410625 | 0.77 | KMT2A (0.49) | AKR1C3HTR6ALDH1A1MMP2DRD2 | |
| SCHEMBL3846739 | 0.77 | MBTD1 (0.48) | AKR1C3HTR6MMP2DRD2HTR2A | |
| SCHEMBL21239981 | 0.77 | AKR1C3 (0.41) | AKR1C3PKMCA2ALDH1A1DRD2 | |
| SCHEMBL28875078 | 0.77 | HTR2C (0.47) | AKR1C3HTR6CA2CA12ALDH1A1 | |
| SCHEMBL13874660 | 0.77 | LMNA (0.59) | AKR1C3PKMHTR6CA2CYP3A4 |
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 |