Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.32 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12712213 | 0.87 | CYP2D6 (0.37) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL30826518 | 0.83 | CYP2D6 (0.42) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL22398798 | 0.81 | CYP2D6 (0.41) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL22398796 | 0.81 | CYP2D6 (0.41) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL4744955 | 0.81 | CYP2D6 (0.41) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL22398775 | 0.81 | CYP2D6 (0.41) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL12712229 | 0.80 | KLK5 (0.36) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL22398295 | 0.80 | CYP2D6 (0.40) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL3497195 | 0.79 | CYP2D6 (0.38) | CYP2D6CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL31023961 | 0.79 | CYP2D6 (0.44) | CYP2D6CYP1A2CYP2C9CYP2C19HTT |
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-8932992-B2 | Templated molecules and methods for using such molecules | NUEVOLUTION A/S (DK) | 2015-01-13 | — | — | US | disclosed |
| US-8932992-B2 | Templated molecules and methods for using such molecules | NUEVOLUTION A/S (DK) | 2015-01-13 | — | — | US | disclosed |
| US-20100016177-A1 | TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES | NUEVOLUTION A/S (DK) | 2010-01-21 | — | — | 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-20100016177-A1 | TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES | INTS6, ABL1, INMT | CYP2D6 568/4885CYP1A2 1759/4885CYP2C9 2418/4885 |
“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.