Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28302332 | 0.76 | MKNK1 (0.30) | — | |
| SCHEMBL29899286 | 0.69 | — | — | |
| SCHEMBL15326800 | 0.65 | — | — | |
| SCHEMBL20543239 | 0.63 | DPP4 (0.61) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL14844386 | 0.62 | HDAC4 (0.36) | — | |
| SCHEMBL14341370 | 0.62 | TACR1 (0.30) | SLC6A4 | |
| SCHEMBL11920265 | 0.62 | TACR1 (0.30) | SLC6A4 | |
| SCHEMBL9429608 | 0.60 | EPHX2 (0.43) | — | |
| SCHEMBL29899246 | 0.60 | — | — | |
| SCHEMBL30320626 | 0.60 | CHRM1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110337294-A | Pyrrolopyrimidines as CFTR potentiators | 囊性纤维化基金会治疗公司 | 2019-10-15 | — | — | CN | disclosed |