Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21261831 | 0.82 | TDP1 (0.42) | CA12CA1CA2ALDH1A1TDP1 | |
| SCHEMBL22734080 | 0.81 | CA12 (0.38) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6318013 | 0.81 | TDP1 (0.37) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL24145175 | 0.77 | CA1 (0.40) | CA12CA1CA2TDP1GAA | |
| SCHEMBL11966911 | 0.77 | ALDH1A1 (0.52) | CA12CA1CA2ALDH1A1TDP1 | |
| SCHEMBL1359163 | 0.77 | TDP1 (0.47) | CA12CA1CA2ALDH1A1TDP1 | |
| SCHEMBL856099 | 0.77 | TDP1 (0.39) | CA12CA1CA2ALDH1A1TDP1 | |
| SCHEMBL28568915 | 0.76 | CA12 (0.37) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL24335698 | 0.76 | TDP1 (0.37) | CA12CA1CA2CA9TDP1 | |
| Hydrochloric Acid SCHEMBL20659338 | 0.76 | TDP1 (0.38) | CA12CA1CA2ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103649019-B | Be used for the treatment of the 1-Piperazino-3-phenyl-indane of schizoid deuterate | H. LUNDBECK A/S (DK) | 2015-09-16 | — | — | CN | disclosed |