Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 18/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | SHBG | P04278 | 2/20 | 0.59 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.59 |
| ▸ | SNCA | P37840 | 2/20 | 0.59 |
| ▸ | BLM | P54132 | 2/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL10528769 | 1.00 | CYP19A1 (1.00) | CYP19A1ALDH1A1LMNASHBGSERPINA6 | |
| SCHEMBL9184889 | 0.89 | CYP19A1 (0.80) | CYP19A1ALDH1A1LMNASHBGSERPINA6 | |
| SCHEMBL9184884 | 0.89 | CYP19A1 (0.80) | CYP19A1ALDH1A1LMNASHBGSERPINA6 | |
| SCHEMBL9184878 | 0.89 | CYP19A1 (0.80) | CYP19A1ALDH1A1LMNASHBGSERPINA6 | |
| SCHEMBL10416995 | 0.84 | CYP19A1 (0.73) | CYP19A1ALDH1A1LMNASHBGSERPINA6 | |
| SCHEMBL10416997 | 0.84 | CYP19A1 (0.73) | CYP19A1ALDH1A1LMNASHBGSERPINA6 | |
| SCHEMBL10416996 | 0.84 | CYP19A1 (0.73) | CYP19A1ALDH1A1LMNASHBGSERPINA6 | |
| SCHEMBL10380893 | 0.84 | CYP19A1 (0.72) | CYP19A1ALDH1A1LMNASHBGSERPINA6 | |
| SCHEMBL10380895 | 0.84 | CYP19A1 (0.72) | CYP19A1ALDH1A1LMNASHBGSERPINA6 | |
| SCHEMBL10380894 | 0.84 | CYP19A1 (0.72) | CYP19A1ALDH1A1LMNASHBGSERPINA6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7996156-B2 | Methods for predicting properties of molecules | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-08-09 | — | — | US | disclosed |
| US-7996156-B2 | Methods for predicting properties of molecules | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-08-09 | — | — | US | disclosed |