Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL98357 | 0.97 | — | — | |
| SCHEMBL29352382 | 0.97 | — | — | |
| Water SCHEMBL28006117 | 0.94 | — | — | |
| Bromide SCHEMBL27923417 | 0.94 | — | — | |
| SCHEMBL18084181 | 0.94 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL6131755 | 0.94 | — | — | |
| SCHEMBL1314055 | 0.94 | — | — | |
| Ethane SCHEMBL27502526 | 0.94 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| Methyl Alcohol SCHEMBL6113311 | 0.91 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 | |
| 1,2-Dichlorobenzene SCHEMBL27486870 | 0.84 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009076345-A1 | METHODS AND COMPOSITIONS FOR PRODUCING DIFLUOROMETHYLENE-AND TRIFLUOROMETHYL-CONTAINING COMPOUNDS | IM & T RESEARCH, INC. (US) | 2009-06-18 | — | — | WO | disclosed |
| EP-0730566-B1 | SELECTIVELY FLUORINATED ORGANIC COMPOUNDS | F2 CHEMICALS LTD (GB) | 2001-09-19 | — | — | EP | disclosed |