Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 5/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL647273 | 0.91 | CA1 (0.44) | IDO1CA1CA2HTTKDM4E | |
| SCHEMBL7933210 | 0.85 | CA1 (0.46) | TAAR1SLC6A2IDO1ESR1ESR2 | |
| SCHEMBL19638063 | 0.84 | CA1 (0.41) | IDO1CA1CA2HTTKDM4E | |
| SCHEMBL8263617 | 0.83 | AGXT (0.50) | TAAR1IDO1CA1CA2HTT | |
| SCHEMBL18092253 | 0.83 | PTGS1 (0.41) | ESR1CA1CA2 | |
| SCHEMBL31651134 | 0.82 | ESR1 (0.48) | TAAR1SLC6A2ESR1ESR2CA2 | |
| SCHEMBL19232139 | 0.82 | HPGD (0.43) | TAAR1SLC6A2IDO1ESR1ESR2 | |
| SCHEMBL13676863 | 0.81 | IDO1 (0.48) | IDO1CA1CA2HPGD | |
| SCHEMBL12153202 | 0.81 | HTT (0.53) | SLC6A2IDO1CA1CA2HTT | |
| SCHEMBL2234953 | 0.80 | TSHR (0.61) | IDO1CA1CA2HTTMAPT |
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-109503479-A | A kind of naphthoquine phosphate process impurity and its synthetic method | 四川自豪时代药业有限公司 | 2019-03-22 | — | — | CN | disclosed |
| EP-0661281-B1 | Substituted phenylethers as pesticides | NOVARTIS AG (CH) | 1999-09-01 | — | — | EP | disclosed |
| US-5663379-A | AGROCHEMICAL ACTIVE INGREDIENTS | CIBA-GEIGY CORPORATION (US) | 1997-09-02 | — | — | US | disclosed |
| EP-0661281-A1 | Substituted phenylethers as pesticides | CIBA-GEIGY AG (CH) | 1995-07-05 | — | — | EP | disclosed |