Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10764117 | 0.84 | KDM4E (0.47) | ALDH1A1ALOX5KDM4ETDP1LMNA | |
| SCHEMBL10433439 | 0.83 | GAA (0.47) | ALDH1A1ALOX5KDM4ETDP1MAPT | |
| Hydrochloric Acid SCHEMBL10765883 | 0.83 | KDM4E (0.46) | ALDH1A1ALOX5KDM4ETDP1LMNA | |
| SCHEMBL10698893 | 0.81 | KDM4E (0.47) | ALDH1A1KDM4ETDP1LMNAGAA | |
| SCHEMBL6831687 | 0.73 | HRH4 (0.41) | ALDH1A1KDM4ETDP1LMNAGAA | |
| SCHEMBL6626014 | 0.70 | KDM4E (0.38) | ALDH1A1KDM4ETDP1MAPTLMNA | |
| SCHEMBL7214494 | 0.69 | KDM4E (0.43) | ALDH1A1KDM4ETDP1LMNAGAA | |
| SCHEMBL18590696 | 0.67 | CHKA (0.67) | KDM4EMAPTLMNAGAADRD4 | |
| SCHEMBL6280799 | 0.67 | KDM4E (0.59) | ESR1ALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL10513594 | 0.66 | RAB9A (0.65) | ALDH1A1KDM4ETDP1MAPTLMNA |
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-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |