Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.46 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.46 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11204272 | 0.81 | CYP3A4 (0.51) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL9952302 | 0.77 | ALDH1A1 (0.59) | ALDH1A1CYP3A4L3MBTL1MAPTTDP1 | |
| SCHEMBL11574765 | 0.77 | KMT2A (0.59) | ALDH1A1CYP3A4L3MBTL1MAPTTDP1 | |
| SCHEMBL7198388 | 0.76 | MAPK1 (0.55) | ALDH1A1CYP3A4L3MBTL1MAPTTDP1 | |
| SCHEMBL8758404 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| Butralin SCHEMBL8539399 | 0.75 | ALDH1A1 (0.70) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| Butralin SCHEMBL55786 | 0.75 | ALDH1A1 (0.70) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL11448060 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL19592338 | 0.74 | CYP3A4 (0.53) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| Benfluralin SCHEMBL4901640 | 0.74 | MAPT (0.69) | ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE31226-E | HERBICIDES | ELI LILLY AND COMPANY (US) | 1983-05-03 | — | — | US | disclosed |
| US-RE31227-E | HERBICIDES | ELI LILLY AND COMPANY (US) | 1983-05-03 | — | — | US | disclosed |