Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL7300495 | 0.87 | TRPA1 (0.41) | TRPA1CTSKCTSLCTSBTSHR | |
| SCHEMBL7273144 | 0.85 | CTSK (0.43) | TRPA1CTSKCTSLCTSBSMN1; SMN2 | |
| SCHEMBL7271492 | 0.85 | SMN1; SMN2 (0.42) | TRPA1CTSKCTSLCTSBTSHR | |
| SCHEMBL7273150 | 0.73 | CTSK (0.41) | TRPA1CTSKCTSLCTSBSMN1; SMN2 | |
| SCHEMBL3363869 | 0.73 | FDPS (0.44) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL3054000 | 0.73 | ARG1 (0.37) | CTSKCTSLCTSBSMN1; SMN2HIF1A | |
| SCHEMBL7271496 | 0.70 | SMN1; SMN2 (0.41) | TRPA1TSHRSMN1; SMN2HIF1ASLC6A2 | |
| SCHEMBL23277194 | 0.69 | TRPA1 (0.48) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL6158106 | 0.68 | SMN1; SMN2 (0.48) | TRPA1TSHRSMN1; SMN2HIF1ASLC6A2 | |
| SCHEMBL27350008 | 0.68 | TRPA1 (0.47) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE35886-E | ENDOTHELIN-CONVERTING ENZYME INHIBITOR | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-01 | — | — | US | disclosed |
| EP-0518299-B1 | Phosphonic acid derivatives, production and use thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-10-08 | — | — | EP | disclosed |
| US-5330978-A | Cardiovascular disorders, hypotensive agents, vasodilation | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-07-19 | — | — | US | disclosed |
| EP-0518299-A2 | Phosphonic acid derivatives, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-12-16 | — | — | EP | disclosed |