Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17022091 | 0.82 | TSHR (0.37) | TSHRCES1CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL10080318 | 0.77 | TSHR (0.33) | TSHRCES1SMN1; SMN2 | |
| SCHEMBL4912093 | 0.75 | TSHR (0.38) | TSHRCES1CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL10066238 | 0.75 | TSHR (0.38) | TSHRCES1CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL19845102 | 0.71 | TSHR (0.46) | TSHRCES1CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL4492563 | 0.71 | TSHR (0.46) | TSHRCES1CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL4983569 | 0.71 | TSHR (0.46) | TSHRCES1CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL16122257 | 0.68 | TSHR (0.39) | TSHRCES1CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL278799 | 0.68 | TSHR (0.48) | TSHRCES1CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL13106440 | 0.67 | TSHR (0.48) | TSHRCES1CYP3A4SMN1; SMN2HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012170061-A1 | FORMULATIONS OF (R)-1-(2,2-DIFLUROBENZO[D][1,3] DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYL PROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-13 | — | — | WO | disclosed |
| WO-2012027247-A2 | PHARMACEUTICAL COMPOSITION OF (R)-1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXY PROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL) CYCLOPROPANECARBOXAMIDE AND ADMINISTRATION THEROF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-01 | — | — | WO | disclosed |
| WO-2011133751-A9 | PROCESS OF PRODUCING CYCLOALKYLCARBOXAMIDO-INDOLE COMPOUNDS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | WO | disclosed |
| WO-2011133751-A2 | PROCESS OF PRODUCING CYCLOALKYLCARBOXAMIDO-INDOLE COMPOUNDS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-10-27 | — | — | WO | disclosed |