Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 4/20 | 0.47 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10647032 | 0.90 | SSTR4 (0.41) | PDE5ASSTR4MCHR1LMNAMAPT | |
| SCHEMBL9117305 | 0.85 | SSTR4 (0.42) | PDE5ASSTR4ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL3615320 | 0.81 | SSTR4 (0.39) | PDE5ASSTR4ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL3317155 | 0.79 | SSTR4 (0.41) | SSTR4ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16252779 | 0.76 | SSTR4 (0.51) | PDE5ASSTR4NUDT1CYP1A2CYP2C9 | |
| SCHEMBL9183816 | 0.76 | TSHR (0.54) | KDM4ESMN1; SMN2CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL183867 | 0.75 | ATP4A (0.51) | SSTR4MAPTKMT2AMEN1CYP1A2 | |
| SCHEMBL15677572 | 0.75 | NUDT1 (0.41) | PDE5AALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL9183777 | 0.75 | HCRTR2 (0.42) | SSTR4MCHR1ALDH1A1GRM5NUDT1 | |
| SCHEMBL10263943 | 0.73 | DRD1 (0.39) | PDE5AALDH1A1PKMNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012045680-A2 | INSECTICIDAL AND FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS | BAYER CROPSCIENCE AG (DE) | 2012-04-12 | — | — | WO | disclosed |