Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.46 |
| ▸ | LMNA | P02545 | 10/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | USP2 | O75604 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11819489 | 0.99 | CYP3A4 (0.45) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11814063 | 0.89 | CYP3A4 (0.44) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11818030 | 0.87 | CYP2D6 (0.44) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11814515 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11814264 | 0.78 | CYP3A4 (0.52) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11820505 | 0.75 | CYP3A4 (0.53) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11814391 | 0.73 | CYP3A4 (0.48) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11824895 | 0.73 | CYP3A4 (0.48) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL7646271 | 0.72 | COMT (0.52) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL14499380 | 0.72 | CYP11B1 (0.47) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 |
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-3961062-A | Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-01 | — | — | US | disclosed |