Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.58 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.58 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | DRD1 | P21728 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1587431 | 1.00 | CYP2D6 (0.58) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Hydrochloric Acid SCHEMBL9333736 | 0.99 | CYP2D6 (0.57) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11412068 | 0.84 | CYP2D6 (0.59) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11403829 | 0.84 | CYP2D6 (0.59) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11758160 | 0.84 | CYP2D6 (0.59) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11403374 | 0.84 | CYP2D6 (0.59) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Hydrochloric Acid SCHEMBL11407352 | 0.83 | CYP2D6 (0.58) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Hydrochloric Acid SCHEMBL11412217 | 0.83 | CYP2D6 (0.58) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| Hydrochloric Acid SCHEMBL11406447 | 0.83 | CYP2D6 (0.58) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11753865 | 0.82 | CYP2D6 (0.57) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060258652-A1 | Beta-blockers having antioxidant and no-donor activity | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2006-11-16 | — | — | US | disclosed |
| WO-2004047837-A2 | BETA-BLOCKERS HAVING ANTIOXIDANT AND NITRIC OXIDE-DONOR ACTIVITY | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2004-06-10 | — | — | WO | disclosed |
| US-4031125-A | 3-Sulfonate ester of 2,3-dihydroxypropylamine | MERCK & CO., INC. (US) | 1977-06-21 | — | — | US | disclosed |
| US-3962338-A | Novel methods and compounds employed therein | MERCK & CO., INC. (US) | 1976-06-08 | — | — | 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 (1 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-20060258652-A1 | Beta-blockers having antioxidant and no-donor activity | ADRB1, ADRB2, ADRB3 | CYP2D6 699/4885ADRB2 2/4885ADRB1 1/4885 |
“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.