Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 2/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8374733 | 0.75 | ADORA2A (0.44) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL19086974 | 0.74 | — | — | |
| SCHEMBL8373880 | 0.73 | ADORA2B (0.39) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL22079819 | 0.73 | ADORA2B (0.39) | ADORA2BADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL8375164 | 0.73 | SMPD1 (0.49) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL31714233 | 0.72 | NOS3 (0.32) | LMNA | |
| SCHEMBL19927128 | 0.71 | CYP1A2 (0.46) | ADORA2AKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL8374661 | 0.71 | HSD17B10 (0.43) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL19972103 | 0.70 | DGAT1 (0.35) | — | |
| SCHEMBL8374724 | 0.70 | MAPT (0.47) | KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900206-A1 | NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS | L'OREAL (FR) | 1999-03-10 | — | — | EP | claimed |
| WO-1997042173-A1 | NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS | L'OREAL (FR) | 1997-11-13 | — | — | WO | claimed |