Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | MLYCD | O95822 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18644452 | 0.88 | RAB9A (0.52) | RAB9ASMN1; SMN2ALDH1A1MLYCDAKR1C3 | |
| SCHEMBL16158189 | 0.87 | AKR1C3 (0.61) | SMN1; SMN2ALDH1A1MLYCDAKR1C3LMNA | |
| SCHEMBL18648370 | 0.86 | GAA (0.50) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL16158184 | 0.84 | FKBP1A (0.55) | RAB9ASMN1; SMN2ALDH1A1HPGDPOLB | |
| SCHEMBL18648455 | 0.84 | SMN1; SMN2 (0.48) | RAB9ASMN1; SMN2ALDH1A1POLBMLYCD | |
| SCHEMBL16158188 | 0.84 | FKBP1A (0.52) | RAB9ASMN1; SMN2ALDH1A1MLYCDAKR1C3 | |
| SCHEMBL16158190 | 0.80 | FKBP1A (0.55) | RAB9ASMN1; SMN2ALDH1A1MLYCDAKR1C3 | |
| SCHEMBL18644454 | 0.78 | MLYCD (0.53) | RAB9ASMN1; SMN2MLYCD | |
| SCHEMBL270344 | 0.78 | ALDH1A1 (0.71) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL29054930 | 0.77 | SMN1; SMN2 (0.54) | NPC1SMN1; SMN2ALDH1A1HPGDMAPT |
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 1 patent. 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 |