Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23535953 | 0.85 | ADRA2C (0.61) | CYP2D6ADRA2CKEAP1KDM4ELMNA | |
| SCHEMBL7404525 | 0.84 | KDM4E (0.68) | ADRA2CKDM4ELMNAGAA | |
| SCHEMBL8828353 | 0.83 | CYP2D6 (0.63) | CYP2D6SIGMAR1KDM4ELMNA | |
| SCHEMBL9559725 | 0.83 | KDM4E (0.68) | CYP2D6SIGMAR1KDM4ELMNA | |
| SCHEMBL6991590 | 0.83 | CYP2D6 (0.58) | CYP2D6SIGMAR1HSD17B10KDM4ELMNA | |
| SCHEMBL8828565 | 0.82 | CYP2D6 (0.61) | CYP2D6SIGMAR1MEN1KMT2A | |
| SCHEMBL5947870 | 0.81 | ADRA2C (0.61) | ADRA2CSIGMAR1KEAP1MEN1USP2 | |
| SCHEMBL9157357 | 0.81 | ADRA2C (0.61) | ADRA2CKEAP1KDM4ELMNAMEN1 | |
| SCHEMBL8828449 | 0.81 | DRD2 (0.59) | CYP2D6SIGMAR1HSD17B10KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL5828509 | 0.80 | ADRA2C (0.55) | CYP2D6ADRA2CSIGMAR1KEAP1KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274583-B1 | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. | 2001-08-14 | — | — | US | disclosed |
| US-5977115-A | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0833637-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | MERCK & CO INC (US) | 1998-07-08 | — | — | EP | disclosed |
| EP-0833637-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | Merck & Co., Inc. (US) | 1998-04-08 | — | — | EP | disclosed |
| WO-1996040136-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | MERCK & CO., INC. (US) | 1996-12-19 | — | — | WO | disclosed |