Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11560197 | 0.85 | CA12 (0.47) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL1281463 | 0.83 | CA12 (0.59) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL28124577 | 0.82 | THRB (0.58) | CA12CA1CA2CA9NPC1 | |
| Carbamic Acid SCHEMBL7602744 | 0.82 | HCAR2 (0.58) | CA12CA1CA2CA9NPC1 | |
| Hydrochloric Acid SCHEMBL7603533 | 0.81 | CA12 (0.58) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL21695448 | 0.81 | CA12 (0.48) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL30159033 | 0.79 | CA12 (0.52) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL27640134 | 0.78 | CA12 (0.61) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL12248256 | 0.76 | CA12 (0.59) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL28340854 | 0.76 | CA12 (0.59) | CA12CA1CA2CA9NPC1 |
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-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |