Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16597858 | 0.89 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21709925 | 0.88 | CYP1A1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28305844 | 0.87 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16597998 | 0.84 | CYP3A4 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21709932 | 0.84 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8784943 | 0.82 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8784281 | 0.80 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3724676 | 0.79 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16445653 | 0.78 | CA1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8784486 | 0.77 | CA12 (0.56) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150241779-A1 | REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES | OSAKA UNIVERSITY (JP) | 2015-08-27 | — | — | US | disclosed |
| WO-2015125495-A1 | Reagent for Enhancing Generation of Chemical Species | TOYO GOSEI CO., LTD. (JP) | 2015-08-27 | — | — | WO | disclosed |