Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31682196 | 0.89 | CYP2D6 (0.44) | CYP17A1CYP19A1ALDH1A1KDM4EGAA | |
| SCHEMBL23647399 | 0.85 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAACYP3A4CYP2C9 | |
| SCHEMBL30589493 | 0.81 | MAOA (0.50) | ALDH1A1CYP2D6HIF1ASMN1; SMN2TSHR | |
| SCHEMBL2469547 | 0.81 | MAOA (0.50) | ALDH1A1CYP2D6HIF1ASMN1; SMN2TSHR | |
| SCHEMBL7043763 | 0.80 | RECQL (0.51) | CYP17A1CYP19A1KDM4ECYP3A4CYP2C9 | |
| SCHEMBL11296862 | 0.78 | OPRM1 (0.49) | ALDH1A1GAACYP2C9MEN1KMT2A | |
| SCHEMBL16083425 | 0.78 | OPRM1 (0.47) | ALDH1A1GAALOXL2 | |
| SCHEMBL15897427 | 0.78 | HSD11B1 (0.38) | CYP3A4 | |
| SCHEMBL23660675 | 0.77 | GPR119 (0.50) | ALDH1A1 | |
| SCHEMBL7329139 | 0.76 | ALDH1A1 (0.48) | CYP19A1ALDH1A1KDM4EGAACYP3A4 |
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-1893581-A1 | SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES | Pfizer Limited (GB) | 2008-03-05 | — | — | EP | claimed |
| WO-2006134468-A1 | SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES | PFIZER LIMITED (GB) | 2006-12-21 | — | — | WO | claimed |