Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | LSS | P48449 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18532755 | 0.80 | PYCR1 (0.67) | PYCR1ALDH1A1HTTRAB9AIDO1 | |
| SCHEMBL197287 | 0.80 | HRH3 (0.64) | PYCR1ALDH1A1HTTRAB9AIDO1 | |
| Hydrochloric Acid SCHEMBL27816032 | 0.78 | HRH3 (0.61) | PYCR1ALDH1A1HTTRAB9AAOC3 | |
| SCHEMBL13769273 | 0.76 | AOC3 (0.63) | PYCR1ALDH1A1HTTRAB9AIDO1 | |
| SCHEMBL4573297 | 0.76 | PYCR1 (0.52) | PYCR1ALDH1A1HTTRAB9AIDO1 | |
| Methylene Chloride SCHEMBL6061380 | 0.76 | HRH3 (0.58) | PYCR1ALDH1A1HTTRAB9AAOC3 | |
| SCHEMBL25645368 | 0.76 | ALDH1A1 (0.58) | ALDH1A1RAB9ATSHRKDM4EHRH3 | |
| SCHEMBL25588075 | 0.76 | PYCR1 (0.52) | PYCR1ALDH1A1IDO1AOC3HRH3 | |
| SCHEMBL28074416 | 0.75 | TSHR (0.64) | PYCR1ALDH1A1RAB9AAOC3TSHR | |
| SCHEMBL2056269 | 0.74 | HRH3 (0.77) | PYCR1ALDH1A1HTTRAB9AAOC3 |
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-105646122-B | Compound, its preparation method and the application of a kind of methyl mercapto containing difluoro | 中国科学院上海有机化学研究所 | 2017-11-07 | — | — | CN | disclosed |
| CN-105646122-A | Compound containing difluoro methylthio groups and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2016-06-08 | — | — | CN | disclosed |