Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1932869 | 0.85 | TP53 (0.42) | ESR1TP53ALDH1A1SIGMAR1CYP3A4 | |
| SCHEMBL17899407 | 0.85 | TP53 (0.42) | ESR1TP53ALDH1A1SIGMAR1CYP3A4 | |
| SCHEMBL23339313 | 0.69 | TP53 (0.47) | ESR1TP53ALDH1A1CYP3A4LMNA | |
| SCHEMBL11389447 | 0.68 | LMNA (0.42) | TP53ALDH1A1SIGMAR1CYP3A4LMNA | |
| SCHEMBL20266342 | 0.68 | TP53 (0.52) | ESR1TP53ALDH1A1CYP3A4LMNA | |
| SCHEMBL11382855 | 0.68 | ESR1 (0.40) | ESR1TP53ALDH1A1CYP3A4LMNA | |
| SCHEMBL28747345 | 0.68 | ESR1 (0.44) | ESR1TP53ALDH1A1SIGMAR1CYP3A4 | |
| SCHEMBL20467009 | 0.68 | CYP3A4 (0.41) | ESR1TP53ALDH1A1CYP3A4LMNA | |
| SCHEMBL516401 | 0.67 | CRHR1 (0.44) | ESR1TP53ALDH1A1CYP3A4LMNA | |
| SCHEMBL5421931 | 0.65 | TP53 (0.45) | ESR1TP53ALDH1A1SIGMAR1CYP3A4 |
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-3242869-B1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN | CELLIX BIO PRIVATE LTD (IN) | 2021-10-27 | — | — | EP | disclosed |