Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.32 |
| ▸ | CDK9 | P50750 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27703038 | 0.84 | HTR7 (0.38) | ALDH1A1CYP3A4HTR2AHTR2CLMNA | |
| SCHEMBL4608823 | 0.78 | NFE2L2 (0.36) | ALDH1A1HTR2AHTR2CLMNASMN1; SMN2 | |
| SCHEMBL4595097 | 0.77 | PARP1 (0.43) | ACHEALDH1A1CCNT1CDK9SMN1; SMN2 | |
| SCHEMBL27703250 | 0.77 | HTR7 (0.39) | ALDH1A1CYP3A4SMN1; SMN2KDM4EUSP2 | |
| SCHEMBL4595096 | 0.76 | AQP1 (0.35) | ACHEALDH1A1CYP3A4CTSAHTR2A | |
| SCHEMBL4760683 | 0.75 | CA12 (0.41) | ALDH1A1LMNASMN1; SMN2KDM4EGAA | |
| SCHEMBL27703115 | 0.74 | MAPT (0.39) | MAPTBACE1 | |
| SCHEMBL5137212 | 0.74 | HTR2A (0.42) | ALDH1A1HTR2AHTR2CSMN1; SMN2KDM4E | |
| SCHEMBL4220657 | 0.73 | AQP1 (0.56) | HTR2C | |
| SCHEMBL4220133 | 0.72 | AQP1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1898895-A2 | TREATMENT OF DRUG ABUSE | Wyeth (US) | 2008-03-19 | — | — | EP | disclosed |
| EP-1871356-A1 | DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF | Wyeth a Corporation of the State of Delaware (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006116170-A1 | DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF | WYETH (US) | 2006-11-02 | — | — | WO | disclosed |
| WO-2006116148-A2 | (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE | WYETH (US) | 2006-11-02 | — | — | WO | disclosed |