Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
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 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KDM4EKMT2AGPR35CYP3A4 | |
| SCHEMBL11513163 | 0.84 | CYP3A4 (0.53) | ALDH1A1KMT2ACYP3A4TDP1L3MBTL1 | |
| SCHEMBL11514574 | 0.81 | CYP3A4 (0.44) | ALDH1A1KDM4EGPR35CYP3A4TDP1 | |
| SCHEMBL11643287 | 0.81 | ALDH1A1 (0.41) | ALDH1A1KDM4EKMT2AGPR35CYP3A4 | |
| SCHEMBL11512814 | 0.75 | ALDH1A1 (0.35) | ALDH1A1KDM4EKMT2ACYP3A4TDP1 | |
| SCHEMBL11515596 | 0.73 | GPR35 (0.46) | ALDH1A1KDM4EGPR35CYP3A4TDP1 | |
| SCHEMBL11514324 | 0.71 | CYP3A4 (0.46) | ALDH1A1KDM4EGPR35CYP3A4TDP1 | |
| SCHEMBL11520897 | 0.70 | ALDH1A1 (0.41) | ALDH1A1KDM4EKMT2AGPR35CYP3A4 | |
| SCHEMBL11643284 | 0.70 | CYP3A4 (0.52) | ALDH1A1CYP3A4TDP1CYP2C9CYP2C19 | |
| SCHEMBL8153952 | 0.69 | ALDH1A1 (0.42) | ALDH1A1KDM4EKMT2ACYP1A2CYP2C9 |
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 3 patents. 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 | claimed |
| US-4143073-A | REACTION OF SUBSTITUTED N-ALKOXY-2,6-DINITROANILINES WITH ALKYL OR ALKENYL HALIDE IN PRESENCE OF SODIUM HYDRIDE | ELI LILLY AND COMPANY (US) | 1979-03-06 | — | — | US | disclosed |
| US-4087460-A | HERBICIDES, PLANT GROWTH REGULATORS, CHEMICAL INTERMEDIATES | ELI LILLY AND COMPANY (US) | 1978-05-02 | — | — | US | disclosed |