Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.37 |
| ▸ | GCGR | P47871 | 3/20 | 0.36 |
| ▸ | GIPR | P48546 | 3/20 | 0.36 |
| ▸ | PRSS12 | P56730 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.34 |
| ▸ | MDH2 | P40926 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5585741 | 0.99 | CHEK2 (0.37) | CHEK2GCGRGIPRPRSS12S1PR1 | |
| Hydrochloric Acid SCHEMBL5585747 | 0.94 | CHEK2 (0.42) | CHEK2GCGRGIPRPRSS12MRGPRX4 | |
| SCHEMBL5585511 | 0.85 | MAOB (0.41) | GCGRGIPRS1PR1MRGPRX4CYP2D6 | |
| SCHEMBL5585453 | 0.81 | MRGPRX4 (0.40) | GCGRGIPRMRGPRX4NPC1RAB9A | |
| SCHEMBL5585550 | 0.78 | MAOB (0.41) | GCGRGIPRMRGPRX4MDH2CYP2D6 | |
| SCHEMBL14601452 | 0.76 | CSNK2A1 (0.45) | MRGPRX4MDH2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL5585667 | 0.76 | CSNK2A1 (0.44) | PRSS12MRGPRX4MDH2NPC1RAB9A | |
| SCHEMBL5585545 | 0.74 | HRH3 (0.43) | GCGRGIPRS1PR1NPC1RAB9A | |
| SCHEMBL5585721 | 0.73 | KMT2A (0.46) | GCGRGIPRMRGPRX4NPC1RAB9A | |
| SCHEMBL5585777 | 0.72 | PTGER1 (0.49) | MRGPRX4 |
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-7163952-B2 | Azole compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2007-01-16 | — | — | US | disclosed |