Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.61 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.61 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.61 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | DRD1 | P21728 | 2/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.61 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.61 |
| ▸ | DRD3 | P35462 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8565017 | 0.98 | KDM4E (0.62) | CYP3A4CYP2D6TDP1KDM4EADRB2 | |
| SCHEMBL6052738 | 0.86 | KDM4E (0.72) | CYP3A4CYP2D6TDP1KDM4EADRB2 | |
| Dichloroisoproterenol SCHEMBL613952 | 0.82 | ADRB2 (0.63) | CYP3A4CYP2D6TDP1KDM4EADRB2 | |
| Dichloroisoproterenol SCHEMBL29139831 | 0.82 | ADRB2 (0.63) | CYP3A4CYP2D6TDP1KDM4EADRB2 | |
| SCHEMBL24303162 | 0.82 | SLC6A4 (0.51) | CYP3A4CYP2D6ALDH1A1SLC6A3SLC6A2 | |
| SCHEMBL13971033 | 0.81 | SLC6A2 (0.50) | CYP3A4CYP2D6SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL758732 | 0.81 | SLC6A2 (0.49) | CYP3A4CYP2D6ALDH1A1SLC6A3SLC6A2 | |
| SCHEMBL28320405 | 0.81 | ADRB2 (0.67) | CYP3A4CYP2D6TDP1KDM4EADRB2 | |
| Hydrochloric Acid SCHEMBL9317350 | 0.80 | SLC6A2 (0.67) | CYP3A4CYP2D6SLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL8923703 | 0.80 | LMNA (0.68) | CYP3A4CYP2D6TDP1KDM4EADRB2 |
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-6515023-B2 | For inhibiting the aggregation of blood platelets; 3-(4-Aminomethyl-phenyl)-1-(2-(3,4-dichloro-phenyl)-2-hydroxy-ethyl)-1 -isopropyl-urea for example | MERCK & CO., INC. | 2003-02-04 | — | — | US | disclosed |
| US-20020007045-A1 | Thrombin receptor antagonists | MERCK & CO., INC. | 2002-01-17 | — | — | US | disclosed |
| EP-0700386-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1996-03-13 | — | — | EP | disclosed |
| WO-1995026338-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1995-10-05 | — | — | WO | 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-20020007045-A1 | Thrombin receptor antagonists | F2R, TBXA2R, PTAFR | CYP3A4 727/4885CYP2D6 1576/4885TDP1 688/4885 |
“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.