Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 11/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 5/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL16970605 | 1.00 | CYP2D6 (0.54) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL3679648 | 1.00 | CYP2D6 (0.54) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL22231132 | 0.92 | CYP2D6 (0.45) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL13230319 | 0.92 | CYP2D6 (0.45) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL16970731 | 0.92 | CYP2D6 (0.45) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL28520968 | 0.87 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL28520969 | 0.87 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL16974993 | 0.86 | CA1 (0.44) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL16974944 | 0.86 | CA1 (0.44) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL18445855 | 0.86 | CA1 (0.44) | CYP2D6CA1CA2CA7CTSK |
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 |
|---|---|---|---|---|---|---|---|
| CN-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |
| US-8410150-B2 | Inhibitors of carnitine palmitoyltransferase and treating cancer | UNIVERSITY HEALTH NETWORK (CA) | 2013-04-02 | — | — | US | disclosed |
| US-20100105900-A1 | INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK | 2010-04-29 | — | — | US | disclosed |
| WO-2008109991-A1 | INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK (CA) | 2008-09-18 | — | — | 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-20100105900-A1 | INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | CPT1A, CPT1B, CPT2 | CYP2D6 1791/4885CA1 1983/4885CA2 1295/4885 |
“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.