Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21865880 | 0.81 | TDP1 (0.37) | TDP1AKR1B1CYP3A4SRCNSD2 | |
| SCHEMBL21865957 | 0.81 | AKR1B1 (0.53) | TDP1AKR1B1SRCNSD2ALDH1A1 | |
| SCHEMBL21865871 | 0.73 | TDP1 (0.38) | TDP1ALDH1A1L3MBTL1 | |
| SCHEMBL18299807 | 0.72 | TSHR (0.41) | ALDH1A1POLBL3MBTL1 | |
| SCHEMBL21865981 | 0.67 | — | — | |
| SCHEMBL12709973 | 0.67 | TSHR (0.41) | TDP1ALDH1A1POLBPKM | |
| SCHEMBL7044769 | 0.67 | ERN1 (0.42) | ALDH1A1L3MBTL1 | |
| SCHEMBL12049934 | 0.67 | KMT2A (0.55) | ALDH1A1POLB | |
| SCHEMBL1312057 | 0.66 | TDP1 (0.50) | TDP1CYP3A4ALDH1A1 | |
| SCHEMBL13515104 | 0.66 | TDP1 (0.38) | TDP1NSD2ALDH1A1POLBPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-3636643-A1 | NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES | AbbVie Inc. (US) | 2020-04-15 | — | — | EP | disclosed |