Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 3/20 | 0.30 |
| ▸ | CA1 | P00915 | 3/20 | 0.30 |
| ▸ | CA2 | P00918 | 3/20 | 0.30 |
| ▸ | CA7 | P43166 | 3/20 | 0.30 |
| ▸ | CA9 | Q16790 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5986811 | 1.00 | TSHR (0.62) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL5987769 | 1.00 | TSHR (0.62) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL3814630 | 0.92 | TSHR (0.55) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL987906 | 0.84 | TSHR (0.65) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL5986715 | 0.82 | TSHR (0.50) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL7601638 | 0.82 | TSHR (0.50) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL5987686 | 0.82 | TSHR (0.50) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL36670 | 0.81 | TSHR (0.59) | TSHRHCAR2ALDH1A1CA12CA1 | |
| SCHEMBL10625001 | 0.79 | TSHR (0.46) | TSHRHCAR2ALDH1A1CA12CA1 | |
| Acetic Acid SCHEMBL11076307 | 0.78 | TSHR (0.58) | TSHRCHRM2CHRM4CHRM1TBXA2R |
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-2010150840-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2010-12-29 | — | — | WO | disclosed |