Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | RAD52 | P43351 | 1/20 | 0.53 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11539872 | 0.87 | L3MBTL1 (0.91) | CYP2D6CYP2C19L3MBTL1CYP1A2TSHR | |
| SCHEMBL11538265 | 0.86 | CYP2D6 (0.88) | CYP2D6CYP2C19L3MBTL1CYP1A2TSHR | |
| SCHEMBL11539713 | 0.83 | CYP2D6 (0.68) | CYP2D6CYP2C19L3MBTL1CYP1A2TSHR | |
| SCHEMBL13924774 | 0.83 | CYP2D6 (0.79) | CYP2D6CYP2C19ALDH1A1MEN1KMT2A | |
| SCHEMBL5482274 | 0.81 | L3MBTL1 (0.62) | CYP2D6CYP2C19L3MBTL1CYP1A2TSHR | |
| SCHEMBL3450900 | 0.81 | MEN1 (0.58) | CYP2D6CYP2C19L3MBTL1ALDH1A1MEN1 | |
| SCHEMBL3450903 | 0.81 | MEN1 (0.58) | CYP2D6CYP2C19L3MBTL1CYP1A2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28445735 | 0.81 | MEN1 (0.58) | CYP2D6CYP2C19L3MBTL1TSHRALDH1A1 | |
| SCHEMBL9911421 | 0.78 | TSHR (1.00) | CYP2D6CYP2C19L3MBTL1CYP1A2TSHR | |
| SCHEMBL14970676 | 0.78 | TSHR (1.00) | CYP2D6CYP2C19L3MBTL1CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4170653-A | Antidepressant naphthyloxy piperidino and pyrrolidino propanol ethers | Ayerst McKenna and Harrison Limited (CA) | 1979-10-09 | — | — | US | disclosed |
| US-4060613-A | ANTIDEPRESSANT | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-11-29 | — | — | US | disclosed |