Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 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 | |
|---|---|---|---|---|
| SCHEMBL11514849 | 0.83 | ALDH1A1 (0.44) | ALDH1A1KDM4EKMT2ACYP3A4TDP1 | |
| SCHEMBL11513954 | 0.83 | CYP3A4 (0.43) | ALDH1A1KDM4ECYP3A4TDP1TSHR | |
| SCHEMBL11513433 | 0.81 | ALDH1A1 (0.42) | ALDH1A1KDM4EKMT2ACYP3A4TDP1 | |
| SCHEMBL11643284 | 0.76 | CYP3A4 (0.52) | ALDH1A1CYP3A4TDP1TSHRMAPK1 | |
| SCHEMBL11513163 | 0.74 | CYP3A4 (0.53) | ALDH1A1KMT2ACYP3A4TDP1TSHR | |
| SCHEMBL11512814 | 0.70 | ALDH1A1 (0.35) | ALDH1A1KDM4EKMT2ACYP3A4TDP1 | |
| SCHEMBL9345956 | 0.69 | CYP3A4 (0.56) | ALDH1A1KDM4EKMT2ACYP3A4TDP1 | |
| SCHEMBL11520897 | 0.68 | ALDH1A1 (0.41) | ALDH1A1KDM4EKMT2ACYP3A4TDP1 | |
| SCHEMBL11515596 | 0.68 | GPR35 (0.46) | ALDH1A1KDM4ECYP3A4TDP1TSHR | |
| SCHEMBL11201388 | 0.68 | MAPK1 (0.62) | ALDH1A1KDM4ECYP3A4TDP1TSHR |
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-4087460-A | HERBICIDES, PLANT GROWTH REGULATORS, CHEMICAL INTERMEDIATES | ELI LILLY AND COMPANY (US) | 1978-05-02 | — | — | US | disclosed |