Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 8/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.46 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13570325 | 0.89 | MEN1 (0.52) | MEN1KMT2ACYP3A4ROCK1ALDH1A1 | |
| SCHEMBL4411028 | 0.81 | TRPA1 (0.60) | MEN1KMT2ATRPA1PDE5ATRPV3 | |
| SCHEMBL13570215 | 0.78 | TRPA1 (0.40) | FFAR4MEN1KMT2ATRPA1PDE5A | |
| SCHEMBL611935 | 0.75 | KMT2A (0.51) | MEN1KMT2ATRPA1ALDH1A1RAB9A | |
| SCHEMBL4418963 | 0.75 | GSTO1 (0.66) | KMT2ATRPA1TRPV4ROCK1 | |
| SCHEMBL613256 | 0.73 | KMT2A (0.48) | MEN1KMT2ATRPA1ROCK1RAB9A | |
| SCHEMBL13570207 | 0.73 | GSTO1 (0.50) | MEN1KMT2ATRPA1TRPV3TRPV4 | |
| SCHEMBL4412791 | 0.73 | TRPA1 (0.46) | KMT2ATRPA1ROCK1 | |
| SCHEMBL480701 | 0.72 | MEN1 (0.55) | MEN1KMT2ATRPA1TRPV4L3MBTL1 | |
| SCHEMBL2449783 | 0.71 | TRPA1 (0.60) | MEN1KMT2ATRPA1TRPV3TRPV4 |
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-2009144548-A1 | IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2009-12-03 | — | — | WO | disclosed |