Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 13/20 | 0.97 |
| ▸ | THRA | P10827 | 11/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | TACR2 | P21452 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SHBG | P04278 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL187096 | 1.00 | THRB (0.97) | THRBTHRAMEN1KMT2AALDH1A1 | |
| SCHEMBL28428730 | 1.00 | THRB (0.97) | THRBTHRAMEN1KMT2AALDH1A1 | |
| SCHEMBL6931228 | 1.00 | THRB (0.97) | THRBTHRAMEN1KMT2AALDH1A1 | |
| SCHEMBL4475071 | 1.00 | THRB (0.97) | THRBTHRAMEN1KMT2AALDH1A1 | |
| SCHEMBL2289080 | 1.00 | THRB (0.97) | THRBTHRAMEN1KMT2AALDH1A1 | |
| SCHEMBL28432245 | 1.00 | THRB (0.97) | THRBTHRAMEN1KMT2AALDH1A1 | |
| SCHEMBL11031162 | 0.98 | THRB (1.00) | THRBTHRAMEN1KMT2AALDH1A1 | |
| SCHEMBL101905 | 0.96 | THRB (0.89) | THRBTHRAMEN1KMT2AALDH1A1 | |
| SCHEMBL12193436 | 0.94 | THRB (0.91) | THRBTHRAMEN1KMT2AALDH1A1 | |
| SCHEMBL1401854 | 0.94 | THRB (0.91) | THRBTHRAMEN1KMT2AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111065667-B | Multi-component dispersants | 毕克化学有限公司 | 2022-03-04 | — | — | CN | disclosed |
| EP-0123543-B1 | LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM | MERCK FROSST CANADA INC. (CA) | 1988-02-03 | — | — | EP | disclosed |
| US-4609744-A | 4-oxo-benzopyran carboxylic acids | MERCK FROSST CANADA INC. (CA) | 1986-09-02 | — | — | US | disclosed |
| EP-0123543-A1 | Leukotriene antagonists, their production and use and compositions containing them | MERCK FROSST CANADA INC. (CA) | 1984-10-31 | — | — | EP | disclosed |