Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACR | P10323 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2829476 | 0.90 | AKR1C3 (0.48) | ALDH1A1MAPK1SMN1; SMN2AKR1C3TP53 | |
| SCHEMBL2828965 | 0.83 | ALDH1A1 (0.46) | ALDH1A1FAAHCYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL2832748 | 0.82 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2AKR1C3EDNRBEDNRA | |
| SCHEMBL2824592 | 0.82 | RAB9A (0.41) | ALDH1A1CYP3A4SMN1; SMN2TP53RAB9A | |
| SCHEMBL2832974 | 0.81 | ALDH1A1 (0.52) | ALDH1A1FAAHCYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL2826800 | 0.80 | CHRNB2 (0.35) | ALDH1A1SMN1; SMN2RAB9AKDRNPC1 | |
| SCHEMBL2826937 | 0.79 | ALDH1A1 (0.48) | ALDH1A1FAAHCYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL2830984 | 0.79 | ALDH1A1 (0.50) | ALDH1A1FAAHCYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL2831112 | 0.78 | IRAK4 (0.46) | ALDH1A1FAAHCYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL2826269 | 0.78 | MAPK1 (0.54) | ALDH1A1FAAHCYP3A4MAPK1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1844044-B1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-07-21 | — | — | EP | claimed |