Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | NOS1 | P29475 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22012842 | 0.77 | HPGD (0.44) | LMNAALDH1A1KDM4ENOS3NOS1 | |
| SCHEMBL14432302 | 0.77 | CA1 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22013171 | 0.77 | CA1 (0.53) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL5548172 | 0.77 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29525504 | 0.77 | CA1 (0.53) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL5548174 | 0.77 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9717146 | 0.77 | CA1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11616195 | 0.77 | CA1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9717141 | 0.77 | CA1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10618582 | 0.77 | CA1 (0.66) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020099596-A1 | NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 | UNIVERSITE DE ROUEN NORMANDIE (FR) | 2020-05-22 | — | — | WO | disclosed |