Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | MGMT | P16455 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9791430 | 1.00 | ALDH1A1 (0.51) | ALDH1A1ALOX15CYP1B1KDM4EACHE | |
| SCHEMBL20643554 | 0.87 | MAPK1 (0.49) | ALDH1A1ALOX15CYP1B1 | |
| SCHEMBL20643564 | 0.87 | MAPK1 (0.49) | ALDH1A1ALOX15CYP1B1 | |
| Perillyl Alcohol SCHEMBL15681915 | 0.70 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP1B1KDM4EMGMT | |
| Perillyl Alcohol SCHEMBL9540120 | 0.68 | ALDH1A1 (0.96) | ALDH1A1ALOX15CYP1B1KDM4EMGMT | |
| SCHEMBL16002382 | 0.68 | ALOX15 (0.62) | ALDH1A1ALOX15CYP1B1KDM4EMGMT | |
| SCHEMBL21302589 | 0.67 | ALDH1A1 (0.60) | ALDH1A1ALOX15CYP1B1KDM4EMGMT | |
| Perillyl Alcohol SCHEMBL3320667 | 0.67 | ALDH1A1 (0.93) | ALDH1A1ALOX15CYP1B1KDM4EMGMT | |
| Perillyl Alcohol SCHEMBL17524287 | 0.67 | ALDH1A1 (0.75) | ALDH1A1ALOX15CYP1B1KDM4EMGMT | |
| Perillyl Alcohol SCHEMBL17508433 | 0.67 | ALDH1A1 (0.75) | ALDH1A1ALOX15CYP1B1KDM4EMGMT |
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-2020229412-A1 | TREATMENT OF PREMENSTRUAL SYNDROME AND/OR MENSTRUAL DISCOMFORT WITH A COMPOSITION COMPRISING VICENIN-2 | BESINS HEALTHCARE IRELAND LIMITED (IE) | 2020-11-19 | — | — | WO | disclosed |