Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7784240 | 0.81 | FOLH1 (0.45) | FOLH1TDP1 | |
| SCHEMBL11826760 | 0.73 | BLM (0.52) | BLMACE2FOLH1LTA4HCYP1A2 | |
| SCHEMBL29121417 | 0.71 | CA2 (0.63) | BLMACE2LTA4HCYP1A2CA2 | |
| SCHEMBL14327736 | 0.71 | CHRM1 (0.67) | BLMACE2LTA4HCYP1A2CA2 | |
| SCHEMBL5403291 | 0.70 | — | — | |
| SCHEMBL23235 | 0.70 | — | — | |
| SCHEMBL12894318 | 0.70 | — | — | |
| SCHEMBL17285499 | 0.70 | BLM (0.73) | BLMACE2FOLH1LTA4HCYP1A2 | |
| SCHEMBL1227281 | 0.70 | ACE2 (0.63) | BLMACE2LTA4HCA2MAPK1 | |
| SCHEMBL233225 | 0.70 | BLM (0.73) | BLMACE2FOLH1LTA4HCYP1A2 |
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-6117902-A | 6,8-dimercaptooctanoic acid derivatives substituted at the 6-S and/or 8-S position with the (3-methylthiopropanoyl) radical and pharmaceutical compositions intended for the treatment of cancerous tumors | GALDERMAN RESEARCH & DEVELOPMENT, S.N.C. SOPHIA ABTIPOLIS (FR) | 2000-09-12 | — | — | US | disclosed |