Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | VNN1 | O95497 | 13/20 | 0.44 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30456617 | 0.90 | PTGS1 (0.48) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| SCHEMBL21996375 | 0.85 | PTGS1 (0.48) | PTGS1KCNH2VNN1ZDHHC20 | |
| SCHEMBL21996378 | 0.85 | PTGS1 (0.48) | PTGS1KCNH2VNN1ZDHHC20 | |
| SCHEMBL16685028 | 0.85 | PTGS1 (0.52) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| SCHEMBL19832435 | 0.85 | PTGS1 (0.52) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| Pantethine SCHEMBL59597 | 0.83 | PTGS1 (0.56) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| Pantethine SCHEMBL19544641 | 0.83 | PTGS1 (0.56) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| Pantethine SCHEMBL1650348 | 0.83 | PTGS1 (0.56) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| SCHEMBL21996263 | 0.83 | PTGS1 (0.51) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| SCHEMBL30455999 | 0.83 | PTGS1 (0.51) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 |
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-3887353-A1 | PANTETHEINE DERIVATIVES AND USES THEREOF | Comet Therapeutics, Inc. (US) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020113209-A1 | PANTETHEINE DERIVATIVES AND USES THEREOF | COMET THERAPEUTICS, INC. (US) | 2020-06-04 | — | — | WO | disclosed |