Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21075936 | 0.84 | TRPA1 (0.35) | TRPA1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL21323165 | 0.77 | KAT2B (0.41) | SMN1; SMN2NPC1RAB9ACYP1A2KAT2B | |
| SCHEMBL3972895 | 0.77 | TRPA1 (0.41) | TRPA1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL14201368 | 0.76 | TDP1 (0.36) | SMN1; SMN2CYP1A2CYP2A6MAPTGAA | |
| SCHEMBL28200146 | 0.73 | BACE1 (0.39) | TRPA1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL20287476 | 0.73 | SLC6A2 (0.40) | TRPA1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL29429554 | 0.73 | TRPA1 (0.39) | TRPA1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL1562630 | 0.73 | TRPA1 (0.39) | TRPA1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL11463025 | 0.73 | TRPA1 (0.39) | TRPA1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| Hydrochloric Acid SCHEMBL20984549 | 0.72 | KAT2B (0.41) | TRPA1SMN1; SMN2NPC1RAB9ACYP1A2 |
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-1465900-B1 | RHO-KINASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2008-05-14 | — | — | EP | disclosed |