Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.47 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28936084 | 0.92 | CYP1A2 (0.54) | TACR1CYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL20182728 | 0.85 | TACR1 (0.55) | TACR1CYP1A2PPARGPPARDPPARA | |
| SCHEMBL28936085 | 0.83 | CYP1A2 (0.54) | TACR1CYP1A2MEN1KMT2ASLC1A3 | |
| SCHEMBL29503697 | 0.83 | TACR1 (0.47) | TACR1CYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL2619047 | 0.83 | TACR1 (0.47) | TACR1CYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL6910495 | 0.81 | SLC1A3 (0.50) | TACR1CYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL487508 | 0.81 | ALDH1A1 (0.61) | TACR1CYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL12057416 | 0.81 | TOP2A (0.54) | TACR1CYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL29404968 | 0.80 | ALOX15 (0.55) | POLBMEN1KMT2A | |
| SCHEMBL29404844 | 0.80 | RAB9A (0.49) | PPARGMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114181122-A | Benzyl thioether compound and preparation method thereof | 苏州照固新材料科技有限公司 | 2022-03-15 | — | — | CN | claimed |
| CN-114181122-A | Benzyl thioether compound and preparation method thereof | 苏州照固新材料科技有限公司 | 2022-03-15 | — | — | CN | disclosed |