Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 6/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23039625 | 1.00 | CYP2A13 (0.46) | CYP2A13HTTRECQLCCR5CYP2C9 | |
| SCHEMBL22711499 | 0.84 | CYP2A13 (0.42) | CYP2A13HTTRECQLCCR5CYP2C9 | |
| SCHEMBL30697105 | 0.84 | CYP2A13 (0.42) | CYP2A13HTTRECQLCCR5CYP2C9 | |
| SCHEMBL23039621 | 0.83 | CCR5 (0.46) | HTTRECQLCCR5ALDH1A1KMT2A | |
| SCHEMBL30697124 | 0.82 | CYP2A13 (0.56) | CYP2A13HTTRECQLCCR5CYP2C9 | |
| SCHEMBL22711401 | 0.82 | CYP2A13 (0.56) | CYP2A13HTTRECQLCCR5CYP2C9 | |
| SCHEMBL22711363 | 0.82 | NCF1 (0.48) | HTTRECQLCCR5ALDH1A1PDCD1 | |
| SCHEMBL30697133 | 0.82 | NCF1 (0.48) | HTTRECQLCCR5ALDH1A1PDCD1 | |
| SCHEMBL22711422 | 0.77 | HTT (0.46) | HTTCCR5KMT2A | |
| SCHEMBL22711452 | 0.72 | HRH3 (0.51) | CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111655685-B | Thiophene derivative and use thereof | 藤本株式会社 | 2023-11-17 | — | — | CN | disclosed |