Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5483292 | 0.80 | PKM (0.39) | HTR6ALDH1A1HTTSMN1; SMN2HRH2 | |
| SCHEMBL5201634 | 0.74 | SLC2A1 (0.47) | SMOHTR6MEN1ALDH1A1HTT | |
| SCHEMBL4859724 | 0.74 | SMO (0.46) | SMOHTR6KDM4EMEN1ALDH1A1 | |
| SCHEMBL5202216 | 0.72 | SMO (0.49) | SMOALDH1A1HTTHRH2HTR2A | |
| SCHEMBL13445248 | 0.72 | SMO (0.57) | SMOHTR6MEN1KMT2ACNR2 | |
| SCHEMBL5202596 | 0.70 | ALDH1A1 (0.47) | SMOKDM4EALDH1A1HRH2HTR2A | |
| SCHEMBL12546326 | 0.69 | PTGDR2 (0.41) | — | |
| SCHEMBL5202604 | 0.69 | SLC2A1 (0.46) | SMOHTR6MEN1KMT2ACNR2 | |
| SCHEMBL4861849 | 0.69 | KDM1A (0.46) | SMOMEN1ALDH1A1HTTKMT2A | |
| SCHEMBL4204406 | 0.69 | HTR6 (0.55) | HTR6KDM4EALDH1A1 |
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-1654253-B1 | SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-01-03 | — | — | EP | claimed |
| EP-1654253-B1 | SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-01-03 | — | — | EP | disclosed |