Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 3/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8989174 | 0.96 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL8989218 | 0.74 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL9423066 | 0.73 | CTSS (0.46) | CYP3A4CYP2C9CYP2C19LMNANPSR1 | |
| Lifarizine SCHEMBL9494261 | 0.69 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| Lifarizine SCHEMBL676318 | 0.69 | DRD2 (0.57) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL8963806 | 0.68 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| Lifarizine SCHEMBL8963776 | 0.68 | DRD2 (0.56) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL8989190 | 0.67 | CTSS (0.56) | CYP3A4CYP2C9CYP2C19LMNANPSR1 | |
| SCHEMBL8963681 | 0.67 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL3391962 | 0.67 | CACNA2D1 (0.61) | SMN1; SMN2LMNANPSR1OPRD1ATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0311560-B1 | Pigment compositions based on acetoacetarylides | CIBA GEIGY AG (CH) | 1995-10-25 | — | — | EP | claimed |
| US-5428037-A | Piperazine derivatives; calcium and sodium channel antagonists | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1995-06-27 | — | — | US | claimed |