Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | ECE1 | P42892 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17234493 | 1.00 | CA1 (0.33) | CA1CA2ECE1ALDH1A1 | |
| SCHEMBL17234496 | 0.81 | ECE1 (0.35) | CA1CA2ECE1ALDH1A1 | |
| SCHEMBL23566644 | 0.81 | ECE1 (0.35) | CA1CA2ECE1ALDH1A1 | |
| SCHEMBL24241848 | 0.81 | ECE1 (0.38) | ECE1ALDH1A1 | |
| SCHEMBL24241852 | 0.79 | ECE1 (0.31) | ECE1 | |
| SCHEMBL17234501 | 0.77 | ECE1 (0.37) | CA1CA2ECE1 | |
| SCHEMBL23566522 | 0.77 | ECE1 (0.37) | CA1CA2ECE1 | |
| SCHEMBL23586969 | 0.76 | ECE1 (0.35) | CA1CA2ECE1ALDH1A1 | |
| SCHEMBL17234499 | 0.75 | BHMT (0.47) | — | |
| SCHEMBL18528324 | 0.75 | BHMT (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3950673-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Inspirna, Inc. (US) | 2022-02-09 | — | — | EP | disclosed |
| EP-3137447-B1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX INC (US) | 2021-06-30 | — | — | EP | disclosed |