Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 7/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17959666 | 0.85 | HDAC8 (0.46) | ALDH1A1P2RX7HDAC8 | |
| SCHEMBL16647937 | 0.85 | HDAC8 (0.46) | ALDH1A1P2RX7HDAC8 | |
| SCHEMBL16635467 | 0.80 | TRPA1 (0.46) | TRPA1 | |
| SCHEMBL16635641 | 0.79 | TRPA1 (0.46) | ALDH1A1TRPA1 | |
| SCHEMBL16635012 | 0.77 | TRPA1 (0.39) | ALDH1A1METAP2P2RX7TRPA1 | |
| SCHEMBL26115017 | 0.77 | SMN1; SMN2 (0.33) | ALDH1A1METAP2P2RX7SMN1; SMN2TDP1 | |
| SCHEMBL26115023 | 0.77 | SMN1; SMN2 (0.33) | ALDH1A1METAP2P2RX7SMN1; SMN2TDP1 | |
| SCHEMBL16396351 | 0.71 | AKR1B1 (0.40) | ALDH1A1METAP2AKR1B1KMT2A | |
| SCHEMBL17959577 | 0.70 | TRPA1 (0.44) | ALDH1A1TRPA1HDAC8 | |
| SCHEMBL16647938 | 0.70 | TRPA1 (0.44) | ALDH1A1TRPA1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3055302-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015052264-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-16 | — | — | WO | disclosed |