Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 9/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | FASN | P49327 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1763664 | 0.92 | SLC9A1 (0.51) | SLC9A1CYP3A4ALDH1A1KMT2A | |
| SCHEMBL7995334 | 0.91 | SLC9A1 (0.49) | SLC9A1CYP3A4CA12CA1CA2 | |
| SCHEMBL1763403 | 0.89 | FASN (0.50) | SLC9A1CYP3A4FASN | |
| SCHEMBL1763568 | 0.86 | SLC9A1 (0.68) | SLC9A1FASN | |
| SCHEMBL12593491 | 0.85 | SLC9A1 (0.50) | SLC9A1CYP3A4CA12CA1CA2 | |
| SCHEMBL1763268 | 0.85 | RBP4 (0.51) | SLC9A1CYP3A4MGLL | |
| SCHEMBL1763618 | 0.85 | SLC9A1 (0.48) | SLC9A1CYP3A4FASN | |
| SCHEMBL1763716 | 0.84 | SLC9A1 (0.69) | SLC9A1CYP3A4 | |
| SCHEMBL7991213 | 0.83 | SLC9A1 (0.52) | SLC9A1CYP3A4 | |
| SCHEMBL1763704 | 0.81 | SLC9A1 (0.56) | SLC9A1FASNKMT2A |
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-2010005783-A1 | PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-14 | — | — | WO | disclosed |