Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738491 | 0.86 | CA1 (0.37) | CA1CA2CA4KMT2A | |
| SCHEMBL28628302 | 0.85 | KMT2A (0.43) | CA1CA2CA4KMT2A | |
| SCHEMBL9321781 | 0.71 | — | — | |
| SCHEMBL5205918 | 0.71 | — | — | |
| SCHEMBL28961174 | 0.71 | — | — | |
| SCHEMBL10989871 | 0.69 | KMT2A (0.32) | KMT2A | |
| SCHEMBL10336252 | 0.66 | — | — | |
| SCHEMBL23986724 | 0.62 | ALDH1A1 (0.37) | CA1CA2CA4KMT2ANOS3 | |
| SCHEMBL16359987 | 0.62 | CA1 (0.39) | CA1CA2CA4KMT2A | |
| SCHEMBL5505820 | 0.62 | — | — |
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-1727818-A1 | STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005090343-A1 | STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-09-29 | — | — | WO | disclosed |