Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.42 |
| ▸ | FEN1 | P39748 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14918609 | 0.81 | ALDH1A1 (0.47) | TP53CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL14918727 | 0.76 | HNF4A (0.49) | KMT2AMEN1SMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL14919171 | 0.75 | MEN1 (0.51) | KMT2AMEN1SMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL3996738 | 0.74 | TSHR (0.73) | TP53CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL20267430 | 0.72 | GAA (0.73) | TP53CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL1535274 | 0.72 | RAB9A (0.46) | CYP3A4CYP2C9TSHRSMN1; SMN2GAA | |
| SCHEMBL16037019 | 0.71 | ALDH1A1 (0.43) | KMT2AMEN1GAAL3MBTL1ALDH1A1 | |
| SCHEMBL16038153 | 0.71 | TSHR (0.48) | TSHRKMT2AMEN1SMN1; SMN2GAA | |
| SCHEMBL29073837 | 0.71 | ALDH1A1 (0.41) | CYP3A4TSHRSMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL28159144 | 0.71 | HPGD (0.61) | TSHRKMT2AMEN1L3MBTL1RECQL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013066640-A1 | SUBSTITUTED PYRAZOLE ANALOGUES AS RAR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2013-05-10 | — | — | WO | disclosed |