Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | PHGDH | O43175 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2576486 | 0.74 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2MEN1 | |
| SCHEMBL14483875 | 0.74 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2MEN1 | |
| SCHEMBL11080870 | 0.69 | KMT2A (0.43) | CYP3A4TDP1MEN1HTTKMT2A | |
| SCHEMBL4918590 | 0.68 | TDP1 (0.38) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL11728690 | 0.67 | MEN1 (0.42) | CYP3A4TDP1ESR1ESR2MEN1 | |
| SCHEMBL2574194 | 0.67 | MEN1 (0.42) | CYP3A4TDP1ESR1ESR2MEN1 | |
| SCHEMBL40441 | 0.66 | ESR1 (0.70) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL11648324 | 0.66 | ESR1 (0.70) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL8052335 | 0.66 | — | — | |
| SCHEMBL34204 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4469886-A | PALLADIUM CATALYST HAVING PHOSPHOAMINE LIGAND | THE STANDARD OIL COMPANY (US) | 1984-09-04 | — | — | US | disclosed |