Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL10988135 | 0.93 | KDM4E (0.40) | ALDH1A1KDM4EHPGDACHEPDPK1 | |
| SCHEMBL10417545 | 0.84 | PDE5A (0.42) | ALDH1A1KDM4EHPGDACHEPDPK1 | |
| SCHEMBL10417483 | 0.79 | PDE5A (0.44) | ALDH1A1KDM4EHPGDPDE5A | |
| SCHEMBL7272319 | 0.79 | PDE2A (0.42) | ALDH1A1KDM4EHPGDACHEPDPK1 | |
| Hydrochloric Acid SCHEMBL7281818 | 0.78 | PDE5A (0.43) | ALDH1A1KDM4EHPGDACHEPDPK1 | |
| SCHEMBL10985310 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDACHEPDPK1 | |
| SCHEMBL7272106 | 0.75 | PDE2A (0.43) | ALDH1A1KDM4EHPGDACHEPDPK1 | |
| SCHEMBL10988140 | 0.74 | KDM4E (0.41) | ALDH1A1KDM4EHPGDACHENPC1 | |
| SCHEMBL10960338 | 0.74 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDACHEAURKA | |
| Hydrochloric Acid SCHEMBL10961998 | 0.73 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDACHEAURKA |
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-4515796-A | INOTROPIC, BRONCHODILATOR, VASODILATORS, ANTICOAGULANTS | ELI LILLY AND COMPANY (US) | 1985-05-07 | — | — | US | disclosed |