Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL229300 | 0.86 | ALDH1A1 (0.51) | ALDH1A1SLC18A3MEN1CYP2D6KMT2A | |
| Bromide SCHEMBL10964629 | 0.85 | ALDH1A1 (0.50) | ALDH1A1SLC18A3MEN1CYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL228752 | 0.85 | ALDH1A1 (0.50) | ALDH1A1SLC18A3MEN1CYP2D6KMT2A | |
| Tert-Butyl Formate SCHEMBL27621070 | 0.80 | MEN1 (0.52) | ALDH1A1MEN1CYP2D6KMT2A | |
| Tert-Butyl Formate SCHEMBL28975854 | 0.79 | RBBP9 (0.38) | ALDH1A1MEN1CYP2D6KMT2A | |
| Tert-Butyl Formate SCHEMBL27758370 | 0.79 | KMT2A (0.37) | ALDH1A1MEN1CYP2D6KMT2AGAA | |
| Tert-Butyl Formate SCHEMBL27766934 | 0.79 | ALDH1A1 (0.39) | ALDH1A1SLC18A3MEN1KMT2AGAA | |
| Tert-Butyl Formate SCHEMBL28779357 | 0.79 | MEN1 (0.39) | ALDH1A1MEN1CYP2D6KMT2ASMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27758361 | 0.79 | MEN1 (0.39) | ALDH1A1MEN1CYP2D6KMT2AGAA | |
| SCHEMBL4152061 | 0.78 | ALDH1A1 (0.46) | ALDH1A1SLC18A3MEN1CYP2D6KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101384581-B | Benzoyl-piperidine derivatives as 5HT2/D3 modulators | HOFFMANN LA ROCHE | 2013-09-18 | — | — | CN | disclosed |
| CN-101384581-A | Benzoyl-piperidine derivatives as 5HT2/D3 modulators | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | CN | disclosed |