Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 4/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 2/20 | 0.34 |
| ▸ | PDE5A | O76074 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL10985310 | 0.93 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDPDE5ANPC1 | |
| SCHEMBL10417484 | 0.84 | PDE5A (0.45) | KDM4EALDH1A1HPGDAMY1AGCGR | |
| SCHEMBL7272337 | 0.79 | PDE5A (0.45) | KDM4EALDH1A1HPGDAMY1AGCGR | |
| SCHEMBL10985531 | 0.79 | NPY5R (0.40) | KDM4EALDH1A1HPGDPDE5ACDK2 | |
| SCHEMBL10417546 | 0.79 | PDE5A (0.45) | AMY1AGCGRPDE5AACHEMAPK13 | |
| SCHEMBL10988135 | 0.78 | KDM4E (0.40) | KDM4EALDH1A1HPGDAMY1APDE5A | |
| SCHEMBL10963614 | 0.75 | KDM4E (0.53) | KDM4EALDH1A1HPGDAMY1APDE5A | |
| SCHEMBL10417493 | 0.74 | PDE5A (0.46) | KDM4EALDH1A1HPGDAMY1AGCGR | |
| SCHEMBL10985304 | 0.74 | ALDH1A1 (0.38) | KDM4EALDH1A1HPGDPDE5ANPC1 | |
| SCHEMBL7272325 | 0.74 | PDE2A (0.44) | AMY1AGCGRPDE5ANPC1RAB9A |
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 |