Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | HMGCR | P04035 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 7/20 | 0.41 |
| ▸ | IDO1 | P14902 | 6/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | CDC42 | P60953 | 2/20 | 0.38 |
| ▸ | RAC1 | P63000 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL79099 | 0.82 | MAPT (0.43) | CYP3A4MAPTTDO2IDO1CYP1A1 | |
| SCHEMBL51194 | 0.82 | CYP3A4 (0.45) | CYP3A4MAPTTDO2IDO1CYP1A1 | |
| SCHEMBL7906421 | 0.80 | CYP3A4 (0.43) | CYP3A4MAPTTDO2IDO1CYP1A1 | |
| SCHEMBL21255421 | 0.77 | CYP3A4 (0.41) | CYP3A4MAPTTDO2IDO1CYP1A1 | |
| SCHEMBL21255664 | 0.74 | TUBB4A (0.51) | CYP3A4MAPTTDO2IDO1CDC42 | |
| SCHEMBL7862304 | 0.73 | CYP1A1 (0.61) | CYP3A4HMGCRMAPTCYP1A1CYP1B1 | |
| SCHEMBL14518617 | 0.73 | CYP1A1 (0.61) | CYP3A4HMGCRMAPTCYP1A1CYP1B1 | |
| SCHEMBL50225 | 0.73 | MAPT (0.47) | CYP3A4MAPTTDO2IDO1CYP1A2 | |
| SCHEMBL10034505 | 0.71 | FDPS (0.38) | CYP3A4HMGCRMAPTCYP1A1CYP1B1 | |
| Trans-Asarone SCHEMBL528746 | 0.70 | HMGCR (1.00) | CYP3A4HMGCRCYP1A1CYP1B1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129530-B2 | Catecholamine derivatives and prodrugs thereof | H. LUNDBECK A/S (DK) | 2012-03-06 | — | — | US | disclosed |
| WO-2010097091-A1 | METHODS OF ADMINISTERING (4AR, 1OAR)-I-N-PROPYL-I, 2,3,4A7 S1IO7 IOA-OCTAHYDROBENZO [G] QUINOLINE-6,7-DIOL AND RELATED COMPOUNDS ACROSS THE ORAL MUCOSA, THE NASAL MUCOSA OR THE SKIN AND PHARMACEUTICAL COMPOSITIONS THEREOF | H. LUNDBECK A/S (DK) | 2010-09-02 | — | — | WO | disclosed |
| US-20090062324-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. LUNDBECK A/S (DK) | 2009-03-05 | — | — | 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 (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-20090062324-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | COMT, ADRB3, ADRB1 | CYP3A4 29/4885HMGCR 956/4885MAPT 1508/4885 |
“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.