Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.38 |
| ▸ | LPL | P06858 | 2/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL141580 | 0.85 | CA12 (0.63) | CA2CA1CA12CA7CA9 | |
| SCHEMBL11058125 | 0.79 | CA12 (0.71) | CA2CA1CA12CA7CA9 | |
| SCHEMBL5672629 | 0.77 | TSHR (0.59) | CA2CA1CA12CA7CA9 | |
| SCHEMBL27610990 | 0.77 | TSHR (0.59) | CA2CA1CA12CA7CA9 | |
| SCHEMBL1594032 | 0.77 | TSHR (0.59) | CA2CA1CA12CA7CA9 | |
| SCHEMBL11478296 | 0.76 | CA1 (0.60) | CA2CA1CA12CA7CA9 | |
| SCHEMBL140644 | 0.75 | CA1 (0.59) | CA2CA1CA12CA7CA9 | |
| SCHEMBL26901115 | 0.74 | ALDH1A1 (0.51) | ALDH1A1NPC1HTTRAB9A | |
| SCHEMBL2040977 | 0.73 | CA1 (0.57) | CA2CA1CA12CA7CA9 | |
| SCHEMBL28754539 | 0.72 | ALDH1A1 (0.53) | CA2CA1ALDH1A1NPC1LMNA |
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-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |