Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | DGKA | P23743 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.35 |
| ▸ | PAM | P19021 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
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 | 0.89 | DGKA (0.45) | KMT2ACYP3A4TSHRTDP1ATM | |
| SCHEMBL7793674 | 0.87 | L3MBTL1 (0.40) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL7790029 | 0.86 | CYP1A2 (0.40) | CYP1A2KMT2ACYP3A4TSHRTDP1 | |
| SCHEMBL8102874 | 0.85 | DNM1 (0.56) | CYP3A4TSHRTDP1ATMDGKA | |
| SCHEMBL7792778 | 0.84 | CTSK (0.32) | KMT2ACYP3A4TSHRTDP1ATM | |
| SCHEMBL7789654 | 0.82 | CYP1A2 (0.42) | CYP1A2KMT2ACYP3A4TSHRTDP1 | |
| SCHEMBL7789665 | 0.82 | FFAR4 (0.45) | KMT2ATSHRTDP1MAPTALDH1A1 | |
| SCHEMBL7784246 | 0.75 | L3MBTL1 (0.40) | TSHRALDH1A1POLBLMNA | |
| SCHEMBL7793709 | 0.75 | L3MBTL1 (0.40) | TSHRALDH1A1LMNA | |
| SCHEMBL7793676 | 0.75 | DGKA (0.45) | KMT2ACYP3A4TSHRTDP1ATM |
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 |