Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29294802 | 0.93 | SLC6A3 (0.48) | NR1I2SLC6A3SLC6A4SLC6A2SIGMAR1 | |
| SCHEMBL20615433 | 0.92 | SLC6A3 (0.47) | NR1I2SLC6A3SLC6A4SLC6A2SIGMAR1 | |
| SCHEMBL8277863 | 0.83 | SLC6A3 (0.48) | SLC6A3SLC6A4SLC6A2SIGMAR1KCNH2 | |
| SCHEMBL2632704 | 0.82 | AHR (0.44) | SLC6A3SLC6A4SLC6A2KCNH2CYP3A4 | |
| SCHEMBL11486549 | 0.81 | SLC6A4 (0.45) | SLC6A3SLC6A4SLC6A2KCNH2CYP3A4 | |
| SCHEMBL11484268 | 0.81 | SLC6A3 (0.45) | SLC6A3SLC6A4SLC6A2SIGMAR1KCNH2 | |
| SCHEMBL11484183 | 0.81 | SLC6A4 (0.45) | SLC6A3SLC6A4SLC6A2KCNH2CYP3A4 | |
| SCHEMBL11484616 | 0.81 | SLC6A3 (0.45) | SLC6A3SLC6A4SLC6A2SIGMAR1KCNH2 | |
| SCHEMBL19987475 | 0.81 | NR1I2 (0.59) | NR1I2SLC6A3SLC6A4SLC6A2KCNH2 | |
| SCHEMBL11493043 | 0.80 | SLC6A3 (0.44) | SLC6A3SLC6A4SLC6A2SIGMAR1KCNH2 |
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-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |