Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.33 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8319733 | 0.79 | CYP2D6 (0.46) | CYP2C19CYP2D6CYP3A4KDM4ETSHR | |
| SCHEMBL232442 | 0.77 | HTR2C (0.44) | CYP2C19CYP2D6CYP3A4KDM4ETSHR | |
| SCHEMBL11336504 | 0.75 | CYP2D6 (0.45) | CYP2C19CYP2D6CYP3A4KDM4ETSHR | |
| SCHEMBL9739665 | 0.73 | KDM4E (0.60) | CYP2C19CYP2D6KDM4ECHRNA7CYP1A2 | |
| SCHEMBL7478754 | 0.72 | AHR (0.42) | CYP2C19CYP2D6CYP3A4KDM4ETSHR | |
| SCHEMBL4701400 | 0.71 | GRIA2 (0.35) | CYP2C19CYP2D6CYP3A4KDM4ETSHR | |
| SCHEMBL3872994 | 0.69 | PNMT (0.46) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL9835971 | 0.69 | POLB (0.41) | CYP2C19CYP2D6CYP3A4KDM4ETSHR | |
| SCHEMBL14640411 | 0.68 | CYP2D6 (0.62) | CYP2C19CYP2D6CYP3A4KDM4ETSHR | |
| SCHEMBL24265578 | 0.67 | PARP10 (0.57) | MTNR1AMTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0292840-A2 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |