Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.47 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 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 | |
|---|---|---|---|---|
| SCHEMBL9815632 | 0.86 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL9815602 | 0.81 | MEN1 (0.46) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL9815609 | 0.73 | MEN1 (0.45) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL7430428 | 0.69 | CYP1A2 (1.00) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| Hydrochloric Acid SCHEMBL29651387 | 0.67 | BLM (1.00) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| Hydrochloric Acid SCHEMBL7194533 | 0.67 | BLM (1.00) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL14376706 | 0.67 | CYP3A4 (0.77) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL7314691 | 0.67 | CYP1A2 (0.81) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL11759051 | 0.66 | CYP1A2 (0.45) | CYP3A4CYP1A2CYP2D6PMP22BLM | |
| SCHEMBL6574463 | 0.65 | CYP3A4 (0.84) | CYP3A4CYP1A2CYP2D6PMP22BLM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0266549-B1 | CINNAMYL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1991-06-19 | — | — | EP | disclosed |