Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20923938 | 0.85 | SLC22A12 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20923943 | 0.75 | SLC22A12 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4736112 | 0.73 | SLC22A12 (0.75) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20892503 | 0.73 | SLC22A12 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL31421651 | 0.73 | SLC22A12 (0.71) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20923635 | 0.73 | SLC22A12 (0.71) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13429324 | 0.72 | ALDH1A1 (0.47) | ALDH1A1KMT2AL3MBTL1KDM4EPOLB | |
| SCHEMBL20924263 | 0.70 | SLC22A12 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20923942 | 0.69 | L3MBTL1 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20892501 | 0.68 | SLC22A12 (0.78) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 |
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-3473617-A1 | HALOGENATED COMPOUND AND AXIALLY CHIRAL ISOMER THEREOF | Medshine Discovery Inc. (CN) | 2019-04-24 | — | — | EP | disclosed |