Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10601957 | 0.79 | ACHE (0.62) | ACHENOS3PARP1PARP10SRD5A1 | |
| SCHEMBL30346069 | 0.79 | ACHE (0.62) | ACHENOS3PARP1PARP10SRD5A1 | |
| SCHEMBL13534180 | 0.77 | ACHE (0.48) | ACHEHTR2CHTR2AOPRM1HTR1D | |
| SCHEMBL31354870 | 0.71 | PARP1 (0.47) | ACHENOS3HTR2CHTR2APARP1 | |
| SCHEMBL2585275 | 0.69 | ACHE (1.00) | ACHENOS3HTR2CHTR2APARP1 | |
| SCHEMBL15153883 | 0.68 | ACHE (0.49) | ACHENOS3HTR2ASRD5A1 | |
| SCHEMBL16233582 | 0.67 | HTR1D (0.46) | ACHEHTR2CHTR2AHTR1DHTR1B | |
| SCHEMBL2666215 | 0.67 | HTR1D (0.54) | ACHEHTR2CHTR2AHTR1DHTR1B | |
| SCHEMBL15395845 | 0.67 | ACHE (0.47) | ACHENOS3HTR2CHTR2APARP1 | |
| SCHEMBL6971063 | 0.66 | ACHE (0.64) | ACHENOS3HTR2APARP1PARP10 |
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-2023285509-A1 | PREPARATION OF 6-SUBSTITUTED MENADIONES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2023-01-19 | — | — | WO | disclosed |