Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29263327 | 0.96 | CA12 (0.36) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL5696586 | 0.81 | PIK3CD (0.36) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL7799635 | 0.78 | CA12 (0.32) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL723253 | 0.76 | PLA2G1B (0.31) | CA12CA1CA9PIK3CDALDH1A1 | |
| SCHEMBL721239 | 0.74 | DNM1 (0.40) | CA12CA1CA2CA9TSHR | |
| SCHEMBL65000 | 0.73 | CYP1A2 (0.53) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL6905530 | 0.71 | TRPM8 (0.31) | — | |
| SCHEMBL6905526 | 0.71 | TRPM8 (0.31) | — | |
| SCHEMBL23778632 | 0.70 | CA12 (0.32) | CA12CA1CA2CA9CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL5964780 | 0.70 | CYP1A2 (0.50) | CA12CA1CA2CA9CYP1A2 |
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-3569593-A1 | PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION | Universität Wien (AT) | 2019-11-20 | — | — | EP | disclosed |