Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8775742 | 0.76 | ESR1 (0.52) | AKR1C3SMN1; SMN2MAPTCYP3A4TP53 | |
| SCHEMBL7029732 | 0.74 | ESR1 (0.45) | AKR1C3SMN1; SMN2MAPTCYP3A4TP53 | |
| SCHEMBL5679460 | 0.70 | AKR1C3 (0.58) | AKR1C3SMN1; SMN2MAPTCYP3A4TP53 | |
| SCHEMBL9111396 | 0.70 | AKR1C3 (0.81) | AKR1C3SMN1; SMN2MAPTCYP3A4TP53 | |
| SCHEMBL8775736 | 0.70 | HSD17B10 (0.52) | AKR1C3SMN1; SMN2MAPTCYP3A4TP53 | |
| SCHEMBL10356258 | 0.70 | HSD17B10 (0.52) | AKR1C3SMN1; SMN2MAPTCYP3A4TP53 | |
| SCHEMBL24102655 | 0.69 | CYP3A4 (0.53) | AKR1C3SMN1; SMN2MAPTCYP3A4TP53 | |
| SCHEMBL25863718 | 0.69 | CYP3A4 (0.53) | AKR1C3SMN1; SMN2MAPTCYP3A4TP53 | |
| SCHEMBL13475526 | 0.69 | CYP3A4 (0.53) | AKR1C3SMN1; SMN2MAPTCYP3A4TP53 | |
| SCHEMBL8775995 | 0.69 | AKR1C3 (0.58) | AKR1C3SMN1; SMN2MAPTCYP3A4TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-5554603-A | 11,17-DINITRATES; USE TO ACHIEVE ESTROGENIC EFFECT IN FEMALE MAMMALS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-09-10 | — | — | US | disclosed |