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 | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL10687272 | 0.93 | DHODH (0.49) | DHODHKDM4EALDH1A1KMT2ANPC1 | |
| SCHEMBL10684850 | 0.92 | DHODH (0.48) | DHODHKDM4EALDH1A1KMT2ANPC1 | |
| SCHEMBL10690859 | 0.92 | DHODH (0.52) | DHODHKDM4EALDH1A1KMT2ANPC1 | |
| SCHEMBL10687590 | 0.92 | DHODH (0.52) | DHODHKDM4EALDH1A1KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL10692537 | 0.91 | DHODH (0.51) | DHODHKDM4EALDH1A1KMT2ANPC1 | |
| Bromide SCHEMBL10687725 | 0.91 | DHODH (0.51) | DHODHKDM4EALDH1A1KMT2ANPC1 | |
| SCHEMBL10689904 | 0.90 | ALDH1A1 (0.48) | DHODHKDM4EALDH1A1KMT2ANPC1 | |
| SCHEMBL10688468 | 0.88 | AKR1C2 (0.46) | DHODHKDM4EALDH1A1KMT2ANPC1 | |
| Phosphoric Acid SCHEMBL10788694 | 0.88 | DHODH (0.48) | DHODHKDM4EALDH1A1KMT2ANPC1 | |
| SCHEMBL10686918 | 0.88 | KDM4E (0.46) | DHODHKDM4EALDH1A1KMT2ANPC1 |
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-4769384-A | ANTIULCER AGENTS | NIPPON SHINYAKU CO. LTD. (JP) | 1988-09-06 | — | — | US | disclosed |