Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PGK2 | P07205 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10601697 | 0.78 | TSHR (0.52) | TSHRALDH1A1CYP1A2PTPN1CA1 | |
| SCHEMBL4427704 | 0.78 | TSHR (0.52) | TSHRALDH1A1CYP1A2PTPN1CA1 | |
| SCHEMBL8321565 | 0.78 | TSHR (0.52) | TSHRALDH1A1CYP1A2PTPN1CA1 | |
| SCHEMBL5720508 | 0.77 | TSHR (0.58) | TSHRALDH1A1CYP1A2PTPN1CA1 | |
| SCHEMBL4219815 | 0.77 | TSHR (0.58) | TSHRALDH1A1CYP1A2PTPN1CA1 | |
| SCHEMBL10885277 | 0.74 | ALDH1A1 (0.55) | TSHRALDH1A1CYP1A2PTPN1CA1 | |
| Trifluoromethylbenzene SCHEMBL6439041 | 0.74 | TSHR (0.82) | TSHRALDH1A1CYP1A2PTPN1CA1 | |
| SCHEMBL15822136 | 0.74 | PTPN1 (0.48) | TSHRALDH1A1CYP1A2PTPN1CA1 | |
| SCHEMBL19356865 | 0.74 | TSHR (0.48) | TSHRALDH1A1CYP1A2PTPN1CA1 | |
| SCHEMBL14198855 | 0.74 | TSHR (0.46) | TSHRALDH1A1CA1CA2CA5A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108698982-A | FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF | 日产化学工业株式会社 | 2018-10-23 | — | — | CN | disclosed |
| US-6207826-B1 | Macrocyclic compounds having nitrogen-containing linkages | ISIS PHARMACEUTICALS, INC. | 2001-03-27 | — | — | US | disclosed |
| EP-0731790-A1 | TACHYKININ ANTAGONISTS | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1996-09-18 | — | — | EP | disclosed |