Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11957289 | 0.85 | CYP2D6 (0.36) | GAACYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL7880454 | 0.78 | ADRA2A (0.41) | GAAMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL11979078 | 0.77 | GAA (0.39) | GAAKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL11979090 | 0.75 | GAA (0.36) | GAAKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL8501452 | 0.74 | CYP2D6 (0.35) | CYP19A1NQO2GAACYP2D6CYP2C19 | |
| SCHEMBL50426 | 0.72 | KDM4E (0.49) | NQO2GAAKMT2AKDM4EALDH1A1 | |
| SCHEMBL5567729 | 0.68 | KDM4E (0.36) | GAACYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL2597463 | 0.67 | BRD4 (0.45) | CYP2C19KMT2AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL17726240 | 0.67 | GAA (0.47) | GAACYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL9814122 | 0.67 | KCNH2 (0.39) | GAACYP2D6CYP2C19MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120196889-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. LUNDBECK A/S (DK) | 2012-08-02 | — | — | US | disclosed |
| WO-2010097087-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. LUNDBECK A/S (DK) | 2010-09-02 | — | — | 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-20120196889-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | COMT, ADRB3, ADRB1 | CYP19A1 185/4885NQO2 477/4885GAA 653/4885 |
“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.