Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.41 |
| ▸ | PRKDC | P78527 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3549407 | 0.90 | ALDH1A1 (0.48) | ALDH1A1HTTKDM4ELMNAHPGD | |
| SCHEMBL3553390 | 0.82 | MEN1 (0.42) | ALDH1A1HTTKDM4ELMNAPOLB | |
| SCHEMBL7810873 | 0.76 | ALOX5 (0.67) | ALOX5ALDH1A1KDM4ELMNANPSR1 | |
| SCHEMBL6440684 | 0.72 | ALOX5 (0.56) | ALOX5KDM4ENPSR1ADAM17 | |
| SCHEMBL7807431 | 0.70 | ALOX5 (0.55) | ALOX5KDM4ENPSR1ADAM17 | |
| SCHEMBL24901890 | 0.68 | ADAM17 (0.49) | ALOX5LMNAPOLBADAM17 | |
| SCHEMBL4944704 | 0.68 | ADAM17 (0.49) | ALOX5ALDH1A1HTTKDM4ELMNA | |
| SCHEMBL23163726 | 0.68 | ADAM17 (0.57) | ALOX5ALDH1A1ADAM17 | |
| SCHEMBL9264156 | 0.67 | ALOX5 (0.76) | ALOX5 | |
| SCHEMBL1263059 | 0.66 | AGXT (0.61) | ALOX5ALDH1A1HTTLMNAHSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7696204-B2 | Pharmaceutical compounds | LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) | 2010-04-13 | — | — | US | disclosed |
| US-20090156601-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-18 | — | — | US | disclosed |
| US-20090042884-A1 | Pharmaceutical Compounds | F.HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | US | disclosed |
| EP-1951683-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) | 2008-08-06 | — | — | EP | disclosed |
| EP-1945627-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007042806-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) | 2007-04-19 | — | — | WO | disclosed |
| WO-2007042810-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) | 2007-04-19 | — | — | 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 (2 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-20090042884-A1 | Pharmaceutical Compounds | PIK3CA, JAK1, PIK3R1 | ALOX5 2161/4885ALDH1A1 1942/4885HTT 3735/4885 |
| US-20090156601-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | NR3C1, NR4A3, NR4A1 | ALOX5 1924/4885ALDH1A1 4770/4885HTT 4363/4885 |
“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.