Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11682666 | 0.85 | KDM4E (0.45) | ALDH1A1TSHRHSD17B10TDP1MCOLN3 | |
| Methane SCHEMBL11682364 | 0.84 | KDM4E (0.44) | ALDH1A1TSHRHSD17B10TDP1MCOLN3 | |
| SCHEMBL11684642 | 0.81 | HSD17B1 (0.47) | ALDH1A1TSHRHSD17B10TDP1MCOLN3 | |
| SCHEMBL4639664 | 0.73 | ALDH1A1 (0.61) | ALDH1A1TSHRHSD17B10CYP3A4CYP2C9 | |
| SCHEMBL11348719 | 0.72 | ALDH1A1 (0.55) | ALDH1A1TSHRHSD17B10TDP1KDM4E | |
| SCHEMBL30270588 | 0.72 | HSD17B1 (0.49) | KDM4EHSD17B1HSD17B2MAPTPGR | |
| SCHEMBL25920645 | 0.72 | HSD17B1 (0.49) | KDM4EHSD17B1HSD17B2MAPTPGR | |
| SCHEMBL4175248 | 0.72 | KDM4E (0.56) | ALDH1A1MCOLN3KDM4EHSD11B1NR1H3 | |
| SCHEMBL176801 | 0.71 | ALDH1A1 (0.62) | ALDH1A1TSHRHSD17B10TDP1CYP3A4 | |
| SCHEMBL31650697 | 0.71 | ALDH1A1 (0.62) | ALDH1A1TSHRHSD17B10TDP1CYP3A4 |
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-4055557-A | MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |