Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27338760 | 0.99 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2C9MEN1CYP3A4 | |
| SCHEMBL6156828 | 0.79 | PDE10A (0.45) | ALDH1A1CYP1A2CYP2C9MEN1CYP3A4 | |
| Hydrochloric Acid SCHEMBL27332647 | 0.78 | PDE10A (0.44) | ALDH1A1CYP1A2CYP2C9MEN1CYP3A4 | |
| SCHEMBL7749667 | 0.71 | PDE10A (0.48) | ALDH1A1CYP1A2CYP2C9CYP2D6CASP1 | |
| Hydrochloric Acid SCHEMBL27337722 | 0.70 | PDE10A (0.47) | ALDH1A1CYP1A2CYP2C9CYP2D6CASP1 | |
| SCHEMBL1388102 | 0.70 | YTHDC1 (0.41) | JAK2JAK1MAPK14 | |
| SCHEMBL8978330 | 0.70 | YTHDC1 (0.41) | ALDH1A1CYP1A2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL7415941 | 0.69 | PDE10A (0.34) | ALDH1A1CYP1A2CYP2C9CASP1CASP7 | |
| Hydrochloric Acid SCHEMBL7742137 | 0.69 | YTHDC1 (0.40) | JAK2JAK1MAPK14 | |
| SCHEMBL7739861 | 0.69 | KDM4E (0.35) | KDM4EADORA3PDE10AADORA2AADORA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1045778-C | Novel chemical compounds having PDE-IV inhibition activity | EURO CELTIQUE SA (LU) | 1999-10-20 | — | — | CN | claimed |
| CN-1125445-A | Novel compounds having P.DE-IV inhibitory activity | EURO CELTIQUE SA (LU) | 1996-06-26 | — | — | CN | claimed |
| EP-0705265-A1 | NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY | Euroceltique S.A. (LU) | 1996-04-10 | — | — | EP | claimed |
| CN-1377353-A | Purine derivatives having phosphodiesterase IN inhibition activity | EURO CELTIQUE SA (LU) | 2002-10-30 | — | — | CN | disclosed |