Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 6/20 | 0.70 |
| ▸ | ERAP1 | Q9NZ08 | 3/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | GLA | P06280 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10849121 | 0.90 | HSD17B3 (0.73) | HSD17B3ERAP1NPSR1KDM4EGLA | |
| SCHEMBL10853395 | 0.89 | HSD17B3 (0.54) | HSD17B3ERAP1NPSR1KDM4EGLA | |
| SCHEMBL10790904 | 0.88 | HSD17B3 (0.68) | HSD17B3ERAP1NPSR1KDM4EGLA | |
| SCHEMBL10856384 | 0.88 | HSD17B3 (0.54) | HSD17B3ERAP1NPSR1KDM4EGLA | |
| SCHEMBL10857144 | 0.88 | HSD17B3 (0.63) | HSD17B3ERAP1NPSR1KDM4EGLA | |
| SCHEMBL11119736 | 0.87 | HSD17B3 (0.67) | HSD17B3ERAP1NPSR1KDM4EGLA | |
| SCHEMBL11116826 | 0.87 | HSD17B3 (0.67) | HSD17B3ERAP1NPSR1KDM4EGLA | |
| SCHEMBL11113701 | 0.87 | HSD17B3 (0.67) | HSD17B3ERAP1NPSR1MAOBRXFP1 | |
| SCHEMBL10853693 | 0.86 | HSD17B3 (0.76) | HSD17B3ERAP1NPSR1KDM4EGLA | |
| SCHEMBL10847031 | 0.86 | HSD17B3 (0.84) | HSD17B3ERAP1NPSR1KDM4EGLA |
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 |
|---|---|---|---|---|---|---|---|
| US-4618622-A | ANTIDEPRESSANTS, ANTIALLERGENS | BASF AKTIENGESELLSCHAFT (DE) | 1986-10-21 | — | — | US | disclosed |