Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | IDH2 | P48735 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29890941 | 0.94 | PTPN1 (0.61) | PTPN1TSHRALDH1A1MAPK1ADRA2B | |
| SCHEMBL933875 | 0.94 | PTPN1 (0.61) | PTPN1TSHRALDH1A1MAPK1ADRA2B | |
| Trifluoromethylbenzene SCHEMBL28267145 | 0.84 | TSHR (0.58) | PTPN1TSHRALDH1A1ADRA2BADRA2C | |
| SCHEMBL11239236 | 0.84 | PTPN1 (0.51) | PTPN1TSHRALDH1A1MAPK1FFAR1 | |
| SCHEMBL11224511 | 0.81 | PTPN1 (0.49) | PTPN1TSHRALDH1A1MAPK1 | |
| SCHEMBL27821982 | 0.80 | PTPN1 (0.60) | PTPN1TSHRALDH1A1MAPK1FFAR1 | |
| SCHEMBL11234512 | 0.80 | PTPN1 (0.48) | PTPN1TSHRALDH1A1MAPK1RAB9A | |
| SCHEMBL10535262 | 0.78 | PTPN1 (0.57) | PTPN1TSHRMAPK1ADRA2BADRA2C | |
| SCHEMBL30873473 | 0.77 | GRM5 (0.58) | PTPN1TSHRALDH1A1MAPK1FFAR1 | |
| SCHEMBL2273427 | 0.77 | TSHR (0.52) | PTPN1TSHRALDH1A1MAPK1FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104945389-B | A kind of mountain ketone colour contamination ketone compounds and its preparation method and application | 中国科学院上海药物研究所 | 2018-04-13 | — | — | CN | disclosed |