Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10481115 | 1.00 | CYP3A4 (0.53) | CYP3A4NPSR1TSHRALDH1A1TP53 | |
| SCHEMBL42549 | 0.91 | TSHR (0.52) | CYP3A4NPSR1TSHRALDH1A1TP53 | |
| SCHEMBL25433797 | 0.85 | TSHR (0.46) | CYP3A4NPSR1TSHRALDH1A1TP53 | |
| SCHEMBL17589483 | 0.85 | TSHR (0.50) | CYP3A4NPSR1TSHRALDH1A1TP53 | |
| SCHEMBL230828 | 0.85 | TSHR (0.55) | CYP3A4NPSR1TSHRALDH1A1TP53 | |
| SCHEMBL2730786 | 0.85 | TSHR (0.46) | CYP3A4NPSR1TSHRALDH1A1TP53 | |
| SCHEMBL776295 | 0.85 | TSHR (0.55) | CYP3A4NPSR1TSHRALDH1A1TP53 | |
| SCHEMBL21931989 | 0.84 | TSHR (0.46) | CYP3A4NPSR1TSHRALDH1A1TP53 | |
| SCHEMBL14271657 | 0.84 | ALDH1A1 (0.46) | CYP3A4NPSR1TSHRALDH1A1TP53 | |
| SCHEMBL14370783 | 0.83 | TSHR (0.44) | CYP3A4NPSR1TSHRALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-5736609-A | A POLYTHIO COMPOUND CONTAINING AT LEAST TWO MERCAPTO GROUPS, A POLYISO(THIO)CYANATE COMPOUND, AND A COMPOUND HAVING TWO OR MORE UNSATURATED REACTIVE GROUPS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-04-07 | — | — | US | disclosed |