Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PABPC1 | P11940 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL16148241 | 0.89 | PABPC1 (0.56) | PABPC1TRPM8ALDH1A1MEN1KMT2A | |
| SCHEMBL16147513 | 0.81 | PTPN1 (0.53) | MEN1KMT2ACES1NPC1RAB9A | |
| SCHEMBL17673285 | 0.78 | CES1 (0.39) | ALDH1A1CNR2CES1SMN1; SMN2 | |
| SCHEMBL30606842 | 0.76 | PABPC1 (0.53) | PABPC1TRPM8ALDH1A1MEN1KMT2A | |
| SCHEMBL1750585 | 0.75 | ALDH1A1 (0.53) | TRPM8ALDH1A1MEN1KMT2ACASP1 | |
| SCHEMBL16147669 | 0.75 | CYP3A4 (0.44) | ALDH1A1MEN1KMT2ACYP3A4CES1 | |
| SCHEMBL16147295 | 0.74 | MGAM (0.54) | ALDH1A1TRPV1CNR2CES1NPC1 | |
| Hydrochloric Acid SCHEMBL4614647 | 0.74 | ALDH1A1 (0.52) | TRPM8ALDH1A1MEN1KMT2ACASP1 | |
| SCHEMBL2698205 | 0.74 | PABPC1 (0.50) | PABPC1TRPM8ALDH1A1MEN1KMT2A | |
| SCHEMBL7101680 | 0.73 | KMT2A (0.51) | PABPC1TRPM8ALDH1A1MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9598340-B2 | Metal-catalyzed coupling of aryl and vinyl halides with alpha, alpha-difluorocarbonyl compounds | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-03-21 | — | — | US | disclosed |
| US-9598340-B2 | Metal-catalyzed coupling of aryl and vinyl halides with alpha, alpha-difluorocarbonyl compounds | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-03-21 | — | — | US | disclosed |
| WO-2014165861-A1 | METAL-CATALYZED COUPLING OF ARYL AND VINYL HALIDES WITH ALPHA, ALPHA-DIFLUOROCARBONYL COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-09 | — | — | WO | disclosed |