Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8429076 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TDP1GFERTSHR | |
| SCHEMBL22591638 | 0.80 | GFER (0.50) | ALDH1A1CYP3A4TDP1GFERTSHR | |
| SCHEMBL2406779 | 0.80 | TSHR (0.50) | ALDH1A1CYP3A4TDP1GFERTSHR | |
| SCHEMBL4693256 | 0.79 | GFER (0.44) | ALDH1A1CYP3A4TDP1GFERTSHR | |
| SCHEMBL8676494 | 0.78 | TRPA1 (0.47) | ALDH1A1CYP3A4TDP1TSHRTRPA1 | |
| SCHEMBL1718685 | 0.78 | TAAR1 (0.64) | SLC6A2SLC6A3TAAR1 | |
| SCHEMBL1718675 | 0.78 | TAAR1 (0.64) | SLC6A2SLC6A3TAAR1 | |
| SCHEMBL158968 | 0.78 | TAAR1 (0.64) | SLC6A2SLC6A3TAAR1 | |
| SCHEMBL19938026 | 0.77 | GFER (0.42) | ALDH1A1CYP3A4TDP1GFERTSHR | |
| Hydrochloric Acid SCHEMBL4922092 | 0.76 | TAAR1 (0.61) | SLC6A2SLC6A3TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009015237-A1 | NOVEL COMPOUNDS AND METHODS OF USING THEM | SYNDAX PHARMACEUTICALS, INC. (US) | 2009-01-29 | — | — | WO | disclosed |