Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.74 |
| ▸ | MPL | P40238 | 1/20 | 0.71 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.67 |
| ▸ | NPC1 | O15118 | 3/20 | 0.65 |
| ▸ | RAB9A | P51151 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.65 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 6/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | ESR1 | P03372 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | SCD | O00767 | 1/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL12248876 | 0.96 | PARP1 (0.76) | PARP1MPLADORA3NPC1RAB9A | |
| SCHEMBL235190 | 0.93 | KDM4E (0.70) | MPLADORA3NPC1RAB9AKDM4E | |
| SCHEMBL233522 | 0.89 | SCD (0.78) | PARP1ADORA3NPC1RAB9AKDM4E | |
| SCHEMBL5733493 | 0.87 | KDM4E (0.62) | MPLADORA3NPC1RAB9AKDM4E | |
| SCHEMBL5732893 | 0.87 | KMT2A (0.67) | MPLADORA3NPC1RAB9AKDM4E | |
| SCHEMBL13357578 | 0.87 | PARP1 (0.70) | PARP1MPLADORA3RAB9AKDM4E | |
| SCHEMBL2753872 | 0.86 | LMNA (0.77) | PARP1ADORA3NPC1RAB9AKDM4E | |
| SCHEMBL1883572 | 0.86 | PARP1 (0.92) | PARP1MPLADORA3LMNAROCK1 | |
| SCHEMBL16607130 | 0.86 | ALDH1A1 (0.79) | PARP1MPLNPC1RAB9AKDM4E | |
| SCHEMBL1881014 | 0.86 | ADORA3 (0.82) | PARP1ADORA3NPC1RAB9AKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110105436-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-05-05 | — | — | US | disclosed |
| US-20110105436-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-05-05 | — | — | US | disclosed |
| US-20110105436-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-05-05 | — | — | US | disclosed |
| EP-1558607-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |
| WO-2009114552-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2009-09-17 | — | — | 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-20110105436-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | VHL, TP53, BECN1 | PARP1 555/4885MPL 2711/4885ADORA3 3596/4885 |
“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.