Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 4/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCL2 | P13500 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16872444 | 0.77 | CNR2 (0.41) | MAPTALDH1A1CYP1A2CYP2C19CNR2 | |
| SCHEMBL28375751 | 0.77 | CNR2 (0.41) | MAPTALDH1A1CYP1A2CYP2C19CNR2 | |
| SCHEMBL2453301 | 0.74 | BRD4 (0.40) | MAPTALDH1A1CYP3A4CNR2CNR1 | |
| SCHEMBL28570346 | 0.74 | BRD4 (0.40) | MAPTALDH1A1CYP3A4CNR2CNR1 | |
| SCHEMBL15923751 | 0.71 | CNR2 (0.36) | ALDH1A1CYP1A2CYP2C19CNR2CNR1 | |
| SCHEMBL10688105 | 0.68 | BRD4 (0.46) | ATMMAPTALDH1A1CYP3A4BRD4 | |
| SCHEMBL28374476 | 0.67 | BRD4 (0.41) | ATMMAPTALDH1A1CYP3A4BRD4 | |
| SCHEMBL10525335 | 0.67 | BRD4 (0.41) | ATMMAPTALDH1A1CYP3A4BRD4 | |
| Bromide SCHEMBL10686124 | 0.63 | BRD4 (0.44) | ATMMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3244051 | 0.63 | ATM (1.00) | ATMMAPTALDH1A1CYP1A2CYP2C19 |
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-4497952-A | Process for the production of (±)-4-oxo-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoline derivatives | KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1985-02-05 | — | — | US | disclosed |
| US-4362875-A | Process for preparing (1-acylaminomethyl)-1,2,3,4-tetrahydroisoquinolines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-12-07 | — | — | US | disclosed |
| US-4122180-A | Isoquinolines and anti-depressants containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-10-24 | — | — | US | disclosed |