Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | MGLL | Q99685 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL62723 | 0.97 | TSHR (0.67) | TSHRMAPK1ALDH1A1CES2MGLL | |
| SCHEMBL28126330 | 0.94 | TSHR (0.64) | TSHRMAPK1ALDH1A1CES2MGLL | |
| SCHEMBL30553105 | 0.94 | TSHR (0.64) | TSHRMAPK1ALDH1A1CES2MGLL | |
| SCHEMBL30252943 | 0.94 | TSHR (0.64) | TSHRMAPK1ALDH1A1CES2MGLL | |
| Benzene SCHEMBL8568955 | 0.94 | TSHR (0.67) | TSHRMAPK1ALDH1A1CES2MGLL | |
| Fluoride SCHEMBL30661872 | 0.94 | TSHR (0.64) | TSHRMAPK1ALDH1A1CES2MGLL | |
| Ethylene SCHEMBL28158839 | 0.91 | TSHR (0.61) | TSHRMAPK1ALDH1A1CES2MGLL | |
| Nitrogen SCHEMBL26667006 | 0.91 | TSHR (0.61) | TSHRMAPK1ALDH1A1CES2MGLL | |
| SCHEMBL8718176 | 0.91 | TSHR (0.63) | TSHRMAPK1ALDH1A1CES2MGLL | |
| SCHEMBL13623768 | 0.88 | TSHR (0.58) | TSHRMAPK1ALDH1A1CES2MGLL |
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 |
|---|---|---|---|---|---|---|---|
| EP-1673329-A1 | PROCESS FOR THE PREPARATION 3,5-BIS(TRIFLUOROMETHYL)BENZYLALCOHOL | MITENI S.p.A. (IT) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005035472-A1 | PROCESS FOR THE PREPARATION 3,5-BIS(TRIFLUOROMETHYL)BENZYLALCOHOL | MITENI S.P.A. (IT) | 2005-04-21 | — | — | WO | disclosed |