Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 1/20 | 0.64 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4498540 | 1.00 | NR1I3 (0.64) | NR1I3CDK5CDK5R1AKR1B10GRIN1 | |
| SCHEMBL26672453 | 0.88 | NR1I3 (0.68) | NR1I3CDK5CDK5R1AKR1B10GRIN1 | |
| SCHEMBL19841148 | 0.85 | CDK5 (0.49) | NR1I3CDK5CDK5R1AKR1B10GRIN1 | |
| SCHEMBL4585620 | 0.84 | NR1I3 (0.63) | NR1I3CDK5CDK5R1AKR1B10GRIN1 | |
| SCHEMBL3130550 | 0.78 | NR1I3 (1.00) | NR1I3CDK5CDK5R1AKR1B10GRIN1 | |
| SCHEMBL20781187 | 0.78 | NR1I3 (1.00) | NR1I3CDK5CDK5R1AKR1B10GRIN1 | |
| SCHEMBL15963473 | 0.78 | NR1I3 (1.00) | NR1I3CDK5CDK5R1AKR1B10GRIN1 | |
| SCHEMBL21802632 | 0.78 | NR1I3 (1.00) | NR1I3CDK5CDK5R1AKR1B10GRIN1 | |
| SCHEMBL20781172 | 0.78 | NR1I3 (1.00) | NR1I3CDK5CDK5R1AKR1B10GRIN1 | |
| SCHEMBL13785427 | 0.78 | NR1I3 (1.00) | NR1I3CDK5CDK5R1AKR1B10GRIN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8609644-B2 | Amino derivatives of androstanes and androstenes as medicaments for cardiovascular disorders | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2013-12-17 | — | — | US | disclosed |
| US-8536160-B2 | Azaheterocyclyl derivatives of androstanes and androstenes as medicaments for cardiovascular disorders | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2013-09-17 | — | — | US | disclosed |
| EP-2004668-B1 | AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA TAU IND FARMACEUTI (IT) | 2013-03-13 | — | — | EP | disclosed |
| EP-2004669-B1 | AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA TAU IND FARMACEUTI (IT) | 2013-01-23 | — | — | EP | disclosed |
| US-20110053902-A1 | AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2011-03-03 | — | — | US | disclosed |
| US-20090275542-A1 | AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2009-11-05 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110053902-A1 | AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | PKD1, ATP1A2, ATP1A1 | NR1I3 367/4885CDK5 1390/4885CDK5R1 1662/4885 |
| US-20090275542-A1 | AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | ATP1A2, ATP6V1B1, ATP1A3 | NR1I3 173/4885CDK5 766/4885CDK5R1 777/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.