Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL65000 | 0.80 | CYP1A2 (0.53) | CA1CA12CA2CA9CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL5964780 | 0.77 | CYP1A2 (0.50) | CA1CA12CA2CA9CYP1A2 | |
| Fluoride SCHEMBL1056432 | 0.77 | CYP1A2 (0.50) | CA1CA12CA2CA9CYP1A2 | |
| SCHEMBL8021435 | 0.77 | CYP1A2 (0.50) | CA1CA12CA2CA9CYP1A2 | |
| Hydrochloric Acid SCHEMBL2139422 | 0.77 | CYP1A2 (0.50) | CA1CA12CA2CA9CYP1A2 | |
| SCHEMBL29954074 | 0.74 | CYP1A2 (0.39) | CA1CA12CA2CA9CYP1A2 | |
| Methylamine SCHEMBL6867533 | 0.74 | MAPK1 (0.48) | CA1CA12CA2CA9CYP1A2 | |
| SCHEMBL7054650 | 0.73 | CYP1A2 (0.42) | CA1CA12CA2CA9CYP1A2 | |
| SCHEMBL7776722 | 0.73 | CYP1A2 (0.42) | CA1CA12CA2CA9CYP1A2 | |
| Malonic Acid SCHEMBL3700437 | 0.72 | LDHA (0.47) | CA1CA12CA2CA9CYP1A2 |
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-4334117-A | DIMERIZATION OF BUTADIENE/1,3-/ AND ISOPRENE | KURARAY CO., LTD. (JP) | 1982-06-08 | — | — | US | disclosed |