Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 3/20 | 0.37 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.37 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.37 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.37 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3909726 | 0.89 | ALDH1A1 (0.51) | ALDH1A1HPGDARPLA2G7EPAS1 | |
| SCHEMBL402630 | 0.87 | NOTUM (0.43) | ALDH1A1HPGDCYP11B1CYP11B2PLA2G7 | |
| SCHEMBL338554 | 0.84 | SMN1; SMN2 (0.46) | ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL8326418 | 0.81 | NOTUM (0.43) | ALDH1A1HPGDCYP11B1CYP11B2AR | |
| SCHEMBL7133735 | 0.80 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP11B1CYP11B2AR | |
| SCHEMBL1473470 | 0.80 | HSD11B1 (0.40) | ALDH1A1HSD11B1MAPT | |
| SCHEMBL6314588 | 0.80 | LMNA (0.47) | ALDH1A1HSD11B1GAA | |
| SCHEMBL2259279 | 0.80 | AR (0.44) | ARPLA2G7EPAS1 | |
| SCHEMBL8142488 | 0.79 | NOTUM (0.46) | ALDH1A1HPGDARKDM4EGAA | |
| SCHEMBL881308 | 0.79 | CA12 (0.50) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005070916-A1 | THIOPHENE AND FURAN COMPOUNDS | ELI LILLY AND COMPANY (US) | 2005-08-04 | — | — | WO | disclosed |
| US-6649636-B1 | Cyclooxygenase inhibitors | PFIZER INC. | 2003-11-18 | — | — | US | disclosed |
| EP-1104759-B1 | Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents | PFIZER PROD INC (US) | 2003-10-22 | — | — | EP | disclosed |
| EP-1104759-A1 | Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents | Pfizer Products Inc. (US) | 2001-06-06 | — | — | EP | disclosed |