Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | PTAFR | P25105 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6792714 | 0.84 | HCAR2 (0.55) | HCAR2CYP2C9CYP2C8S1PR1AKR1B1 | |
| Hydrochloric Acid SCHEMBL1656581 | 0.79 | HCAR2 (0.44) | HCAR2CYP2C9CYP2C8S1PR1AKR1B1 | |
| SCHEMBL6791799 | 0.78 | HCAR2 (0.43) | HCAR2CYP2C9CYP2C8S1PR1AKR1B1 | |
| SCHEMBL6793335 | 0.78 | HCAR2 (0.49) | HCAR2CYP2C9CYP2C8S1PR1AKR1B1 | |
| SCHEMBL6792867 | 0.71 | HCAR2 (0.56) | HCAR2CYP2C9CYP2C8AKR1B1MAOB | |
| SCHEMBL6786891 | 0.71 | HCAR2 (0.48) | HCAR2CYP2C9S1PR1KDM4EMEN1 | |
| SCHEMBL6795109 | 0.70 | MEN1 (0.69) | HCAR2CYP2C9CYP2C8S1PR1AKR1B1 | |
| SCHEMBL6793002 | 0.69 | HCAR2 (0.41) | HCAR2CYP2C9CYP2C8AKR1B1ESR2 | |
| SCHEMBL19128564 | 0.68 | KDM4E (0.59) | CYP2C9KDM4EMEN1ALPLCLK1 | |
| Bromide SCHEMBL6799686 | 0.68 | HCAR2 (0.41) | HCAR2CYP2C9CYP2C8AKR1B1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2433496-A1 | Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification | Burnham Institute for Medical Research (US) | 2012-03-28 | — | — | EP | disclosed |