Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22465856 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| SCHEMBL12176448 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRMAPTKDM4E | |
| SCHEMBL3261282 | 0.82 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| SCHEMBL7684050 | 0.81 | ABAT (0.39) | ALDH1A1CYP3A4TDP1MAPK1TSHR | |
| SCHEMBL11556871 | 0.79 | MEN1 (0.41) | ALDH1A1CYP3A4L3MBTL1TSHRCYP2D6 | |
| SCHEMBL24865607 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| SCHEMBL23160256 | 0.77 | AOC3 (0.51) | ALDH1A1TP53MAPTSLC2A1AOC3 | |
| SCHEMBL7681662 | 0.76 | NR1H3 (0.40) | ALDH1A1NR1H2NR1H3KMT2ACA3 | |
| SCHEMBL27478331 | 0.74 | CYP3A4 (0.37) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| SCHEMBL16914897 | 0.73 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 |
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-4015504-A1 | C5AR ANTAGONISTS | ChemoCentryx, Inc. (US) | 2022-06-22 | — | — | EP | disclosed |