Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 5/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL21224483 | 0.91 | HRH3 (0.41) | CA12CA2CA1CA14HRH3 | |
| SCHEMBL5358 | 0.91 | HRH3 (0.41) | CA12CA2CA1CA14HRH3 | |
| SCHEMBL2729745 | 0.91 | HRH3 (0.41) | CA12CA2CA1CA14HRH3 | |
| Fluoride SCHEMBL64252 | 0.87 | HRH3 (0.39) | CA12CA2CA1CA14HRH3 | |
| Iodide SCHEMBL1758226 | 0.87 | HRH3 (0.39) | CA12CA2CA1CA14HRH3 | |
| Ethane SCHEMBL9422175 | 0.87 | HRH3 (0.39) | CA12CA2CA1CA14HRH3 | |
| SCHEMBL14270553 | 0.87 | HRH3 (0.39) | CA12CA2CA1CA14HRH3 | |
| SCHEMBL756023 | 0.87 | HRH3 (0.39) | CA12CA2CA1CA14HRH3 | |
| Hydrochloric Acid SCHEMBL210163 | 0.87 | HRH3 (0.39) | CA12CA2CA1CA14HRH3 | |
| SCHEMBL10948053 | 0.87 | HRH3 (0.39) | CA12CA2CA1CA14HRH3 |
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-6806289-B1 | SUCH AS AMMINE (2-AMINO-3-PICOLINE) DICHLOROPLATINUM(II); EFFICIENCY AND SELECTIVITY FOR DESTROYING TRANSFORMED CELLS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-10-19 | — | — | US | disclosed |