Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.54 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 10/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | HRH2 | P25021 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | APEX1 | P27695 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16821992 | 0.84 | TAAR1 (0.50) | CHRNA7LOXL2TAAR1PNMT | |
| SCHEMBL30824578 | 0.84 | TAAR1 (0.50) | CHRNA7LOXL2NOS1TAAR1CYP2A6 | |
| SCHEMBL748040 | 0.84 | TAAR1 (0.50) | CHRNA7LOXL2NOS1NOS2TAAR1 | |
| SCHEMBL20771897 | 0.84 | TAAR1 (0.50) | CHRNA7LOXL2NOS1TAAR1CYP2A6 | |
| Hydrochloric Acid SCHEMBL14157114 | 0.82 | TAAR1 (0.48) | CHRNA7LOXL2TAAR1CYP2A6HTR2A | |
| SCHEMBL23783636 | 0.79 | CHRNA7 (0.41) | CHRNA7LOXL2HRH3 | |
| SCHEMBL26621184 | 0.79 | TAAR1 (0.55) | CHRNA7LOXL2TAAR1HRH4HRH1 | |
| SCHEMBL27941735 | 0.79 | TAAR1 (0.55) | TAAR1HTR2AKDM4ELMNATSHR | |
| SCHEMBL3642146 | 0.79 | CHRNA7 (0.41) | CHRNA7LOXL2NOS1NOS2TAAR1 | |
| SCHEMBL64200 | 0.78 | TAAR1 (0.53) | LOXL2TAAR1CYP2A6HTR2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009060206-A1 | 3,4,6,7-TETRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES AND THEIR THERAPEUTIC USE | ARGENTA DISCOVERY LIMITED (GB) | 2009-05-14 | — | — | WO | disclosed |