Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8919693 | 0.90 | POLB (0.46) | ALDH1A1MAPTKDM4EHTR1A | |
| SCHEMBL8919198 | 0.83 | POLB (0.47) | ALDH1A1MAPTHTR2AGAASMN1; SMN2 | |
| SCHEMBL8629045 | 0.83 | ALDH1A1 (0.41) | ALDH1A1MAPTHTTMAPK1 | |
| SCHEMBL8920278 | 0.82 | MEN1 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8919157 | 0.80 | ALDH1A1 (0.35) | ALDH1A1MAPTGAAHTTKDM4E | |
| SCHEMBL8919271 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8921274 | 0.76 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10392903 | 0.74 | HTR2A (0.64) | MAPTSLC6A2HTR2ASLC6A4SLC6A3 | |
| SCHEMBL8917897 | 0.73 | SIGMAR1 (0.42) | ALDH1A1GAASMN1; SMN2KDM4EMAPK1 | |
| SCHEMBL8625701 | 0.72 | ALDH1A1 (0.40) | ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5618819-A | ANALGESICS | ADIR ET COMPAGNIE (FR) | 1997-04-08 | — | — | US | disclosed |
| EP-0691339-A1 | Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1996-01-10 | — | — | EP | disclosed |