Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | BRD2 | P25440 | 1/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| 1,3-Diethoxybenzene SCHEMBL1100167 | 0.89 | TP53 (0.71) | TP53CYP3A4MAPK1CYP1A2CYP2D6 | |
| SCHEMBL535412 | 0.83 | MAOB (0.58) | CYP3A4MAPK1ALDH1A1LMNATSHR | |
| SCHEMBL9488001 | 0.82 | TP53 (0.63) | TP53CYP3A4MAPK1CYP1A2CYP2D6 | |
| SCHEMBL7323818 | 0.82 | MAPK1 (0.58) | TP53CYP3A4MAPK1CYP1A2CYP2D6 | |
| SCHEMBL9664138 | 0.81 | NQO1 (0.74) | NQO1LTA4HALDH1A1TSHRKDM4E | |
| Ethylene SCHEMBL27903208 | 0.80 | TP53 (0.52) | TP53CYP3A4MAPK1CYP1A2CYP2D6 | |
| 1-Methoxy-3-Ethoxybenzene SCHEMBL1068417 | 0.80 | CYP3A4 (0.61) | TP53CYP3A4MAPK1CYP1A2CYP2D6 | |
| SCHEMBL131597 | 0.79 | TP53 (0.55) | TP53CYP3A4MAPK1CYP1A2CYP2D6 | |
| SCHEMBL3156831 | 0.79 | KDM4E (0.53) | MAPK1ALDH1A1L3MBTL1TSHRKDM4E | |
| SCHEMBL22924645 | 0.79 | TP53 (0.55) | TP53CYP3A4MAPK1CYP1A2CYP2D6 |
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-0650476-A1 | PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-05-03 | — | — | EP | disclosed |