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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 3/20 | 0.40 |
| ▸ | LDHA | P00338 | 2/20 | 0.39 |
| ▸ | METAP2 | P50579 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM6B | O15054 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.38 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30668508 | 0.83 | HCAR2 (0.48) | MGAMP4HTMLDHAKDM4EALDH1A1 | |
| SCHEMBL6052889 | 0.83 | HCAR2 (0.48) | MGAMP4HTMLDHAKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL28615786 | 0.81 | HCAR2 (0.47) | MGAMP4HTMLDHAKDM4EALDH1A1 | |
| SCHEMBL27477603 | 0.78 | SMN1; SMN2 (0.50) | TSHRSMN1; SMN2LCKFYNPHLPP2 | |
| Pyridine SCHEMBL10770508 | 0.76 | HCAR2 (0.43) | MGAMLDHAKDM4EALDH1A1HSD17B10 | |
| Formamide SCHEMBL28252276 | 0.75 | KDM4E (0.45) | MGAMP4HTMKDM4EALDH1A1HPGD | |
| SCHEMBL846092 | 0.73 | SMN1; SMN2 (0.50) | SMN1; SMN2MGAMP4HTMKDM4EALDH1A1 | |
| SCHEMBL29952936 | 0.73 | KDM4E (0.44) | SMN1; SMN2LDHAKDM4EALDH1A1HPGD | |
| Pyridine-2,5-Dicarboxylic Acid SCHEMBL7049330 | 0.73 | P4HTM (0.68) | TSHRSMN1; SMN2P4HTMLDHAKDM4E | |
| Phthalic Acid SCHEMBL28727341 | 0.72 | SMN1; SMN2 (0.73) | TSHRSMN1; SMN2LCKFYNKDM4E |
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-105645367-A | Treatment mode of calcium hydrogen phosphate used as amlodipine besylate-containing medicinal preparation auxiliary material | 华润赛科药业有限责任公司 | 2016-06-08 | — | — | CN | disclosed |