Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | HTR5A | P47898 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19692897 | 1.00 | HTR6 (0.43) | HTR6HSD17B1HSD17B2CA2MMP2 | |
| SCHEMBL19707164 | 0.93 | HTR6 (0.44) | HTR6HSD17B1HSD17B2CA2MMP2 | |
| SCHEMBL1710586 | 0.92 | OPRM1 (0.43) | HTR6HSD17B1HSD17B2OPRM1OPRK1 | |
| SCHEMBL19277085 | 0.80 | MMP2 (0.40) | HTR6MMP2KIF18AALDH1A1GAA | |
| SCHEMBL2535633 | 0.79 | CRBN (0.41) | KIF18AALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL522247 | 0.79 | MBTD1 (0.44) | HTR6MMP2ALDH1A1GAAMAPT | |
| SCHEMBL28229855 | 0.79 | ALDH1A1 (0.56) | HTR6MMP2ALDH1A1GAAMAPT | |
| SCHEMBL5416488 | 0.79 | AKR1C3 (0.51) | CA2ALDH1A1MAPT | |
| SCHEMBL16799946 | 0.76 | AKR1B1 (0.42) | KIF18AALDH1A1GAAMAPTCYP1A2 | |
| SCHEMBL2642996 | 0.76 | PSIP1 (0.56) | HSD17B1HSD17B2CA2MMP2PKM |
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 |