Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.53 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.53 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL29404861 | 0.92 | TACR1 (0.48) | CYP1A2SLC1A3SLC1A2SLC1A1CYP2A6 | |
| SCHEMBL28936085 | 0.91 | CYP1A2 (0.54) | CYP1A2SLC1A3SLC1A2SLC1A1RAB9A | |
| SCHEMBL6443296 | 0.87 | SLC1A3 (0.51) | CYP1A2SLC1A3SLC1A2SLC1A1RAB9A | |
| SCHEMBL6443298 | 0.87 | SLC1A3 (0.55) | CYP1A2SLC1A3SLC1A2SLC1A1RAB9A | |
| SCHEMBL18499920 | 0.87 | CYP1A2 (0.46) | CYP1A2SLC1A3SLC1A2SLC1A1RAB9A | |
| SCHEMBL2619047 | 0.87 | TACR1 (0.47) | CYP1A2SLC1A3SLC1A2SLC1A1RAB9A | |
| SCHEMBL29503697 | 0.87 | TACR1 (0.47) | CYP1A2SLC1A3SLC1A2SLC1A1RAB9A | |
| SCHEMBL6406854 | 0.85 | SLC1A3 (0.50) | CYP1A2SLC1A3SLC1A2SLC1A1RAB9A | |
| SCHEMBL487508 | 0.85 | ALDH1A1 (0.61) | CYP1A2SLC1A3SLC1A2SLC1A1RAB9A | |
| SCHEMBL30924172 | 0.85 | SLC1A3 (0.54) | CYP1A2SLC1A3SLC1A2SLC1A1RAB9A |
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 |