Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13359371 | 0.87 | SLC6A3 (0.43) | POLBMEN1KMT2AMAPTTSHR | |
| SCHEMBL13359372 | 0.80 | SLC6A3 (0.45) | MAPTTSHRSMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL14393844 | 0.75 | SLC6A3 (0.45) | MEN1KMT2AMAPTTSHRSMN1; SMN2 | |
| SCHEMBL11706212 | 0.69 | DRD2 (0.51) | POLBMEN1KMT2AATMGAA | |
| SCHEMBL3287248 | 0.69 | SLC6A3 (0.68) | KMT2A | |
| SCHEMBL11707002 | 0.68 | POLB (0.48) | POLBMEN1KMT2AATMMAPT | |
| SCHEMBL11708882 | 0.68 | DRD2 (0.57) | POLBMEN1KMT2AATMGAA | |
| SCHEMBL3292224 | 0.67 | DRD3 (0.65) | POLBMEN1KMT2AATMGAA | |
| Hydrochloric Acid SCHEMBL11706280 | 0.67 | POLB (0.47) | POLBMEN1KMT2AATMMAPT | |
| SCHEMBL7657291 | 0.67 | POLB (0.52) | POLBMEN1KMT2AATMBRD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7713956-B2 | Dealkylated derivatives of pyrrolo[2,1-b]benzothiazepines with atypical antipsychotic activity | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2010-05-11 | — | — | US | disclosed |