Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 1/20 | 0.56 |
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7794222 | 0.88 | DGKA (0.45) | DNM1DGKACYP3A4TSHRATM | |
| SCHEMBL7794219 | 0.85 | CYP1A2 (0.40) | DNM1DGKACYP3A4TSHRATM | |
| SCHEMBL7792778 | 0.79 | CTSK (0.32) | CYP3A4TSHRATMTDP1LMNA | |
| SCHEMBL7784250 | 0.79 | LMNA (0.51) | CYP3A4TSHRALDH1A1MAPTLMNA | |
| SCHEMBL7793676 | 0.78 | DGKA (0.45) | DNM1DGKACYP3A4TSHRATM | |
| SCHEMBL7790029 | 0.75 | CYP1A2 (0.40) | DNM1DGKACYP3A4TSHRATM | |
| SCHEMBL8394873 | 0.74 | DNM1 (0.96) | DNM1DGKATSHRALDH1A1CHRM2 | |
| SCHEMBL1333132 | 0.74 | DNM1 (0.81) | DNM1DGKACYP3A4TSHRALDH1A1 | |
| SCHEMBL8394204 | 0.73 | DNM1 (1.00) | DNM1DGKATSHRALDH1A1THRB | |
| SCHEMBL8397741 | 0.73 | DNM1 (1.00) | DNM1DGKATSHRALDH1A1THRB |
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 |