Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL5610077 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP2A6HSD17B10TDP1TSHR | |
| SCHEMBL11212117 | 0.77 | CYP2A6 (0.56) | ALDH1A1CYP2A6HSD17B10TDP1TSHR | |
| SCHEMBL7305915 | 0.75 | PTPN22 (0.54) | ALDH1A1CYP2A6HSD17B10TDP1TSHR | |
| SCHEMBL7306176 | 0.75 | ALDH1A1 (0.34) | ALDH1A1CYP2A6HSD17B10TDP1TSHR | |
| SCHEMBL1538545 | 0.73 | ALDH1A1 (0.60) | ALDH1A1CYP2A6HSD17B10TDP1TSHR | |
| SCHEMBL1538556 | 0.72 | ALDH1A1 (0.41) | ALDH1A1CYP2A6HSD17B10TDP1TSHR | |
| SCHEMBL7306128 | 0.71 | TSHR (0.36) | ALDH1A1CYP2A6TSHRHIF1ACYP1A2 | |
| SCHEMBL1243989 | 0.71 | CYP2A6 (0.60) | ALDH1A1CYP2A6HSD17B10TDP1TSHR | |
| 1,2-Naphthoquinone SCHEMBL2146624 | 0.70 | ALDH1A1 (0.55) | ALDH1A1CYP2A6HSD17B10TDP1TSHR | |
| SCHEMBL31021267 | 0.68 | CYP2A6 (0.37) | ALDH1A1CYP2A6HSD17B10TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |