Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 6/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5349302 | 0.83 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL125581 | 0.81 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL12310369 | 0.81 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL13081517 | 0.81 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL28642995 | 0.79 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL12259279 | 0.79 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL21884123 | 0.79 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL12258694 | 0.79 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL18513568 | 0.79 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL13075728 | 0.79 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |