Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | DRD1 | P21728 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SPR | P35270 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD5 | P21918 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14935497 | 0.95 | HDAC6 (0.65) | HDAC6DRD2DRD1TAAR1CHRM2 | |
| SCHEMBL265820 | 0.89 | ALDH1A1 (0.62) | HDAC6DRD2DRD1TAAR1CHRM2 | |
| SCHEMBL3717612 | 0.84 | HDAC6 (0.66) | HDAC6DRD2DRD1TAAR1CHRM2 | |
| SCHEMBL934635 | 0.84 | HDAC6 (0.59) | HDAC6DRD2DRD1TAAR1CHRM2 | |
| SCHEMBL8561297 | 0.81 | HDAC6 (0.54) | HDAC6DRD2DRD1TAAR1CHRM2 | |
| SCHEMBL28151357 | 0.81 | HDAC6 (0.57) | HDAC6DRD2DRD1TAAR1CHRM2 | |
| SCHEMBL10110719 | 0.81 | TAAR1 (0.50) | DRD2TAAR1ALDH1A1 | |
| SCHEMBL22527126 | 0.81 | MAOA (0.52) | HDAC6ALDH1A1 | |
| SCHEMBL3397240 | 0.81 | TAAR1 (0.50) | TAAR1ALDH1A1 | |
| SCHEMBL5180708 | 0.81 | ALDH1A1 (0.47) | HDAC6ALDH1A1IDO1 |
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-9914695-B2 | Two-step process for preparing 3-substituted phenylalkylamines | MALLINCKRODT LLC (US) | 2018-03-13 | — | — | US | disclosed |