Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13461861 | 0.82 | CYP3A4 (0.45) | CYP3A4ALDH1A1KMT2A | |
| SCHEMBL20384171 | 0.80 | PTGS2 (0.37) | TSHRALDH1A1KMT2A | |
| SCHEMBL5764212 | 0.80 | — | — | |
| SCHEMBL7032946 | 0.80 | TSHR (0.46) | TP53TSHRCYP3A4ALDH1A1KMT2A | |
| SCHEMBL10948738 | 0.78 | HSP90AA1 (0.49) | KMT2A | |
| SCHEMBL15035950 | 0.77 | LMNA (0.37) | TP53 | |
| SCHEMBL31379121 | 0.77 | — | — | |
| SCHEMBL23569269 | 0.76 | TSHR (0.42) | AHRTP53TSHRHSD17B10CYP3A4 | |
| SCHEMBL23568724 | 0.76 | TSHR (0.42) | AHRTP53TSHRHSD17B10CYP3A4 | |
| SCHEMBL21491145 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1696912-B1 | PYRAZOLOPYRIDINES AND ANALOGS THEREOF | 3M INNOVATIVE PROPERTIES CO (US) | 2016-05-11 | — | — | EP | disclosed |
| US-5140026-A | N-aminoalkyl-S-aryl-S-alkyl (or substituted alkyl) sulfoximines as antiarrhythmic agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-08-18 | — | — | US | disclosed |