Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3920685 | 0.77 | FLT3 (0.59) | CA2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL14231750 | 0.77 | CHRM2 (0.54) | CA2CA12CA1CA9CHRM2 | |
| SCHEMBL11831412 | 0.76 | CA12 (0.61) | CA2CA12CA1CA9PLAU | |
| SCHEMBL8037247 | 0.74 | CDK9 (0.50) | CA2CA12CA1CA9CHRM2 | |
| SCHEMBL18233454 | 0.74 | CA12 (0.46) | CA2CA12CA1CA9CHRM2 | |
| SCHEMBL18003606 | 0.74 | CA12 (0.46) | CA2CA12CA1CA9CHRM2 | |
| SCHEMBL12267 | 0.74 | DYRK1A (0.50) | CA2CA12CA1CA9CHRM2 | |
| SCHEMBL12347 | 0.74 | ALDH1A1 (0.52) | CA2CA12CA1CA9ALDH1A1 | |
| SCHEMBL15031527 | 0.74 | MAOB (0.55) | CA2CA12CA1CA9APP | |
| SCHEMBL20210894 | 0.74 | CA12 (0.46) | CA2CA12CA1CA9CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022079092-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-04-21 | — | — | WO | disclosed |
| WO-2022079091-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-04-21 | — | — | WO | disclosed |
| WO-2018015410-A1 | BICYCLIC PROLINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-01-25 | — | — | WO | disclosed |