Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.37 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL8820915 | 1.00 | TRPA1 (0.48) | TRPA1LMNATSHRALOX12ACHE | |
| SCHEMBL1308070 | 0.89 | TRPA1 (0.52) | TRPA1LMNAGABBR2GABBR1RIPK1 | |
| SCHEMBL14183097 | 0.85 | CHRNA7 (0.39) | TRPA1LMNAACHECNR1CNR2 | |
| P-Xylene SCHEMBL9064050 | 0.85 | CHRNA7 (0.39) | TRPA1LMNAACHECNR1CNR2 | |
| SCHEMBL1144478 | 0.83 | TRPA1 (0.48) | TRPA1LMNAGABBR2GABBR1RIPK1 | |
| SCHEMBL2444536 | 0.82 | ACP3 (0.43) | TRPA1LMNAALOX12ACHEACP3 | |
| SCHEMBL19094051 | 0.81 | TRPA1 (0.46) | TRPA1LMNAGABBR2GABBR1SMN1; SMN2 | |
| SCHEMBL1144424 | 0.81 | TRPA1 (0.50) | TRPA1LMNAGABBR2GABBR1RIPK1 | |
| SCHEMBL18793698 | 0.81 | TRPA1 (0.50) | TRPA1LMNAGABBR2GABBR1RIPK1 | |
| SCHEMBL27710909 | 0.81 | TRPA1 (0.50) | TRPA1LMNAGABBR2GABBR1RIPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0646113-B1 | SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS | BASF AG (DE) | 1996-12-18 | — | — | EP | disclosed |
| EP-0646113-A1 | SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS. | BASF AG (DE) | 1995-04-05 | — | — | EP | disclosed |
| WO-1994000445-A1 | SUBSTITUED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS | BASF AKTIENGESELLSCHAFT (DE) | 1994-01-06 | — | — | WO | disclosed |