Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PRNP | P04156 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28408185 | 0.82 | CNR2 (0.51) | CNR2CES1RAB9ANPC1MGAM | |
| SCHEMBL14352068 | 0.73 | KMT2A (0.49) | CNR2RAB9ANPC1KDM4EPRNP | |
| SCHEMBL873852 | 0.73 | CNR2 (0.49) | CNR2RAB9ANPC1MGAMALDH1A1 | |
| SCHEMBL29723103 | 0.73 | CNR2 (0.49) | CNR2RAB9ANPC1MGAMALDH1A1 | |
| SCHEMBL16158204 | 0.72 | PABPC1 (0.46) | CNR2CES1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL16158201 | 0.71 | CES1 (0.52) | CES1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL339520 | 0.71 | PGK1 (0.65) | CNR2MGAMALDH1A1HDAC8 | |
| Hydrochloric Acid SCHEMBL16825201 | 0.71 | CNR2 (0.47) | CNR2RAB9ANPC1MGAMKDM4E | |
| Hydrochloric Acid SCHEMBL4591179 | 0.71 | CNR2 (0.47) | CNR2RAB9ANPC1MGAMKDM4E | |
| SCHEMBL16147295 | 0.71 | MGAM (0.54) | CNR2CES1RAB9ANPC1MGAM |
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 |