Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10632236 | 0.99 | SLC18A3 (0.43) | SLC18A3TSHRGRIN2BGMNNTP53 | |
| SCHEMBL350930 | 0.92 | SLC18A3 (0.44) | SLC18A3GRIN2BKDM4ESIGMAR1LMNA | |
| SCHEMBL10632309 | 0.89 | SLC18A3 (0.43) | SLC18A3TSHRGRIN2BKDM4EHTT | |
| SCHEMBL10632281 | 0.88 | SLC6A2 (0.42) | SLC18A3TSHRGMNNCYP3A4ALOX15 | |
| SCHEMBL10630120 | 0.86 | SLC6A2 (0.43) | SLC18A3GRIN2BKDM4EHTTSLC6A2 | |
| SCHEMBL10627784 | 0.86 | SLC6A2 (0.41) | SLC18A3GRIN2BKDM4EHTTCYP2D6 | |
| SCHEMBL10627836 | 0.82 | SLC6A2 (0.43) | SLC18A3GRIN2BSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10632529 | 0.82 | CHRNA7 (0.43) | SLC18A3TSHRGRIN2BNFKB1BLM | |
| SCHEMBL10632275 | 0.81 | HTR2A (0.41) | KDM4ECYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10630176 | 0.81 | SLC6A4 (0.43) | GRIN2BCYP2D6SLC6A2SLC6A4LMNA |
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-4772705-A | Processes for the preparation of trans 1,3,4,6,7,11b-hexahydro-7-aryl-2H-pyrazinol[2,1-a]isoquinolines | PENNWALT CORPORATION (US) | 1988-09-20 | — | — | US | disclosed |