Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 10/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14889554 | 0.82 | LOXL2 (0.47) | TSHRCYP17A1ALDH1A1LOXL2RAB9A | |
| SCHEMBL3171335 | 0.79 | CES1 (0.54) | TSHRALDH1A1 | |
| SCHEMBL1178369 | 0.79 | CA2 (0.58) | CYP19A1CYP17A1ALDH1A1GAAMAPT | |
| SCHEMBL48403 | 0.79 | CYP19A1 (0.50) | CYP19A1TSHRALDH1A1GAAMAPT | |
| Iodide SCHEMBL14765165 | 0.77 | CYP19A1 (0.49) | CYP19A1TSHRALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL2673007 | 0.77 | CA2 (0.56) | CYP19A1CYP17A1ALDH1A1GAAMAPT | |
| SCHEMBL10002451 | 0.76 | RAB9A (0.49) | ALDH1A1MAPTRAB9ASMN1; SMN2HTT | |
| SCHEMBL3181241 | 0.76 | TDP1 (0.47) | ALDH1A1GAAMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL28195356 | 0.76 | CA1 (0.44) | CYP19A1CYP17A1ALDH1A1GAAMAPT | |
| SCHEMBL4681053 | 0.73 | LOXL2 (0.46) | CYP19A1TSHRALDH1A1GAAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1545523-A1 | 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS | Astex Technology Limited (GB) | 2005-06-29 | — | — | EP | disclosed |
| WO-2005002673-A1 | RAF KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-01-13 | — | — | WO | disclosed |
| WO-2004004720-A1 | 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS | ASTEX TECHNOLOGY LIMITED (GB) | 2004-01-15 | — | — | WO | disclosed |