Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11569356 | 0.78 | SMN1; SMN2 (0.49) | CA1CA2NPC1RAB9ACYP1A2 | |
| SCHEMBL15294706 | 0.76 | HPGD (0.41) | TDP1NPC1GAAMAPTRAB9A | |
| SCHEMBL13784014 | 0.76 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28499948 | 0.74 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4192430 | 0.71 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL26976737 | 0.71 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL24270010 | 0.71 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL27892470 | 0.71 | CA1 (0.92) | CA1CA2CA7CA9CA12 | |
| Hydrogen Sulfide SCHEMBL17008164 | 0.70 | CYP1A1 (0.72) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11396638 | 0.69 | ALDH1A1 (0.47) | CA1CA2CA7CA9CA12 |
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-2020150675-A1 | COMPOUNDS AND USES THEREOF | NUVATION BIO INC. (US) | 2020-07-23 | — | — | WO | disclosed |