Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGKA | P23743 | 1/20 | 0.45 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PAM | P19021 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7790029 | 0.89 | CYP1A2 (0.40) | DGKADNM1CYP3A4TSHRATM | |
| SCHEMBL7794222 | 0.86 | DGKA (0.45) | DGKADNM1CYP3A4TSHRATM | |
| SCHEMBL7784255 | 0.85 | L3MBTL1 (0.40) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL7793684 | 0.82 | LMNA (0.51) | CYP3A4TSHRMAPTMAPK1ALDH1A1 | |
| SCHEMBL7790037 | 0.82 | CTSK (0.32) | CYP3A4TSHRATMTDP1PRSS1 | |
| SCHEMBL8095315 | 0.81 | DGKA (0.51) | DGKADNM1CYP3A4TSHRATM | |
| SCHEMBL8102874 | 0.78 | DNM1 (0.56) | DGKADNM1CYP3A4TSHRATM | |
| SCHEMBL7793672 | 0.78 | DGKA (0.42) | DGKADNM1CYP3A4TSHRATM | |
| SCHEMBL9315300 | 0.76 | DGKA (0.57) | DGKADNM1TSHRPLA2G2APRSS1 | |
| SCHEMBL6742895 | 0.76 | DGKA (0.64) | DGKADNM1CYP3A4TSHRATM |
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 |