Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | RIN1 | Q13671 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7792766 | 0.88 | DGKA (0.43) | KMT2ATDP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL10454134 | 0.87 | CYP1A2 (0.50) | CYP1A2KMT2ATDP1TSHRABL1 | |
| SCHEMBL7794216 | 0.86 | TSHR (0.40) | KMT2ATDP1TSHRALDH1A1L3MBTL1 | |
| SCHEMBL7793701 | 0.83 | LMNA (0.44) | ALDH1A1PGRADORA3PDE4DGAA | |
| SCHEMBL7794209 | 0.82 | HDAC3 (0.33) | RNPEP | |
| SCHEMBL7784218 | 0.81 | FOLH1 (0.42) | KMT2ATSHRALDH1A1RNPEP | |
| SCHEMBL2580673 | 0.77 | CYP1A2 (0.47) | CYP1A2KMT2ATDP1TSHRALDH1A1 | |
| SCHEMBL2580934 | 0.76 | CYP1A2 (0.46) | CYP1A2KMT2ATDP1TSHRALDH1A1 | |
| SCHEMBL7784226 | 0.76 | GSTK1 (0.44) | KMT2ATSHRALDH1A1RNPEP | |
| SCHEMBL7789654 | 0.75 | CYP1A2 (0.42) | CYP1A2KMT2ATDP1TSHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0947503-B1 | 6,8-Dimethylmercaptooctanoic acid derivatives substituted on 6-S and/or 8-S by the 3-methylthiopropanoyl radical and pharmaceutical compositions for the treatment of cancerous tumours | GALDERMA RES & DEV (FR) | 2001-11-21 | — | — | EP | claimed |
| 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 | claimed |