Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.54 |
| ▸ | HTR2A | P28223 | 3/20 | 0.54 |
| ▸ | HTR7 | P34969 | 2/20 | 0.54 |
| ▸ | HTR6 | P50406 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 5/20 | 0.50 |
| ▸ | DRD2 | P14416 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11538959 | 0.99 | HRH3 (0.56) | TSHRL3MBTL1TDP1CYP1A2CYP2C19 | |
| SCHEMBL11541529 | 0.88 | TSHR (0.75) | TSHRL3MBTL1TDP1CYP1A2CYP2C19 | |
| SCHEMBL11553112 | 0.83 | TSHR (0.57) | TSHRL3MBTL1TDP1CYP1A2CYP2C19 | |
| SCHEMBL22640119 | 0.83 | CYP1A2 (0.79) | TSHRTDP1CYP1A2CYP2C19HTR2A | |
| SCHEMBL11538237 | 0.83 | CYP1A2 (0.79) | TSHRTDP1CYP1A2CYP2C19HTR2A | |
| SCHEMBL9330132 | 0.82 | CYP1A2 (0.77) | TSHRTDP1CYP1A2CYP2C19HTR2A | |
| SCHEMBL11554137 | 0.82 | HRH3 (0.56) | TSHRL3MBTL1TDP1CYP1A2CYP2C19 | |
| SCHEMBL11554880 | 0.81 | HRH3 (0.55) | TSHRL3MBTL1TDP1CYP1A2CYP2C19 | |
| SCHEMBL11549241 | 0.77 | TSHR (0.54) | TSHRL3MBTL1TDP1CYP1A2CYP2C19 | |
| Acetic Acid SCHEMBL11542589 | 0.76 | MAPT (0.68) | TSHRTDP1CYP1A2CYP2C19HTR2A |
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 3 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-4140779-A | ANTIDEPRESSANTS | AYERST, MCKENNA AND HARRISON LIMITED (CA) | 1979-02-20 | — | — | US | disclosed |
| US-4060613-A | ANTIDEPRESSANT | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-11-29 | — | — | US | disclosed |