Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 7/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | SLC2A9 | Q9NRM0 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 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 | 0.88 | SLC22A12 (0.54) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL4736112 | 0.83 | SLC22A12 (0.75) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL25140434 | 0.79 | SLC22A12 (0.56) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL20924263 | 0.78 | SLC22A12 (0.70) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL20923987 | 0.75 | CYP1A2 (0.47) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL31421651 | 0.75 | SLC22A12 (0.71) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL20923635 | 0.75 | SLC22A12 (0.71) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28666416 | 0.74 | SLC22A12 (0.59) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL1299869 | 0.74 | SLC22A12 (0.67) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL1299697 | 0.74 | SLC22A12 (0.67) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 |
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 |