Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 8/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 8/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29124850 | 0.98 | TSHR (0.42) | TSHRFKBP1AGAAHPGDSMN1; SMN2 | |
| SCHEMBL17560386 | 0.86 | FKBP1A (0.35) | FKBP1AGAAHPGDCHRM2CHRM4 | |
| SCHEMBL4126074 | 0.81 | ALDH1A1 (0.46) | TSHRFKBP1AGAACHRM1ALDH1A1 | |
| SCHEMBL3799824 | 0.80 | HSD17B10 (0.47) | HPGDSMN1; SMN2CHRM2CHRM1CHRM3 | |
| SCHEMBL17560405 | 0.80 | DPP4 (0.37) | — | |
| SCHEMBL358345 | 0.80 | HSD17B10 (0.47) | HPGDSMN1; SMN2CHRM2CHRM1CHRM3 | |
| SCHEMBL28498149 | 0.79 | TPSAB1 (0.33) | TSHRGAAHPGDSMN1; SMN2 | |
| SCHEMBL30523684 | 0.79 | HPGD (0.49) | HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL771163 | 0.78 | TSHR (0.55) | TSHRGAAHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL3946460 | 0.78 | FKBP1A (0.42) | TSHRFKBP1ASMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009072643-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-11 | — | — | WO | disclosed |