Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4164467 | 0.87 | SMN1; SMN2 (0.62) | TSHRHTR2AHTR2CHTR2BSMN1; SMN2 | |
| SCHEMBL21056089 | 0.87 | SMN1; SMN2 (0.62) | TSHRHTR2AHTR2CHTR2BSMN1; SMN2 | |
| SCHEMBL11330542 | 0.85 | TSHR (0.51) | TSHRHTR2AHTR2CHTR2BSMN1; SMN2 | |
| SCHEMBL1305946 | 0.85 | TSHR (0.69) | TSHRHTR2AHTR2CHTR2BSMN1; SMN2 | |
| SCHEMBL11330573 | 0.85 | TSHR (0.51) | TSHRHTR2AHTR2CHTR2BSMN1; SMN2 | |
| SCHEMBL8505592 | 0.82 | TSHR (0.74) | TSHRHTR2AHTR2CHTR2BSMN1; SMN2 | |
| SCHEMBL12718928 | 0.82 | TSHR (0.74) | TSHRHTR2AHTR2CHTR2BSMN1; SMN2 | |
| SCHEMBL1117051 | 0.81 | TSHR (0.44) | TSHRHTR2AHTR2CHTR2BSMN1; SMN2 | |
| SCHEMBL11342743 | 0.81 | HPGD (0.50) | TSHRHTR2AHTR2CHTR2BSMN1; SMN2 | |
| SCHEMBL11340856 | 0.80 | SMN1; SMN2 (0.51) | TSHRHTR2AHTR2CHTR2BSMN1; SMN2 |
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-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |
| EP-2308872-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |