Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.44 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CA4 | P22748 | 3/20 | 0.44 |
| ▸ | CA6 | P23280 | 3/20 | 0.44 |
| ▸ | CA5A | P35218 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | F13A1 | P00488 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | THPO | P40225 | 2/20 | 0.44 |
| ▸ | CASP2 | P42575 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15720062 | 0.96 | CA2 (0.42) | CA2CA12CA9CYP1A2CA4 | |
| SCHEMBL24110180 | 0.96 | CYP2C19 (0.47) | CA2CA12CA9CYP1A2CA4 | |
| SCHEMBL4290748 | 0.96 | CA2 (0.42) | CA2CA12CA9CYP1A2CA4 | |
| SCHEMBL48646 | 0.96 | — | — | |
| SCHEMBL9801304 | 0.93 | CA2 (0.44) | CA2CA12CA9CYP1A2CA4 | |
| SCHEMBL9801743 | 0.93 | CA2 (0.44) | CA2CA12CA9CYP1A2CA4 | |
| SCHEMBL9801337 | 0.93 | CA2 (0.44) | CA2CA12CA9CYP1A2CA4 | |
| SCHEMBL2785093 | 0.93 | CA2 (0.40) | CA2CA12CA9CYP1A2CA4 | |
| SCHEMBL9801792 | 0.93 | CA2 (0.44) | CA2CA12CA9CYP1A2CA4 | |
| Water SCHEMBL7052762 | 0.93 | CA2 (0.40) | CA2CA12CA9CYP1A2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5106877-A | Including hydroxyalkyl hydrazines; preventing discoloration of teeth from antiplaque agents, food spoilage | THE ROCKEFELLER UNIVERSITY (US) | 1992-04-21 | — | — | US | disclosed |