Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL994910 | 1.00 | VCAM1 (0.49) | VCAM1ALDH1A1POLBHTTMEN1 | |
| SCHEMBL19100782 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HTTMEN1KMT2AKDM4E | |
| SCHEMBL19100781 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HTTMEN1KMT2AKDM4E | |
| SCHEMBL1014335 | 0.79 | MAPT (0.35) | VCAM1ALDH1A1POLBHTTMEN1 | |
| SCHEMBL1014334 | 0.79 | MAPT (0.35) | VCAM1ALDH1A1POLBHTTMEN1 | |
| SCHEMBL30597619 | 0.79 | MAPT (0.35) | VCAM1ALDH1A1POLBHTTMEN1 | |
| SCHEMBL994186 | 0.79 | ALDH1A1 (0.55) | VCAM1ALDH1A1POLBHTTMEN1 | |
| SCHEMBL31129799 | 0.78 | VCAM1 (0.58) | VCAM1ALDH1A1POLBHTTMEN1 | |
| SCHEMBL11653168 | 0.77 | ALDH1A1 (0.54) | VCAM1ALDH1A1POLBHTTMEN1 | |
| SCHEMBL18152719 | 0.76 | ERN1 (0.42) | VCAM1ALDH1A1POLBHTTMEN1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8697693-B2 | Pharmaceutical compounds | F. Hoffmann LaRoche AG (CH) | 2014-04-15 | — | — | US | disclosed |
| EP-2205610-B1 | THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-11-20 | — | — | EP | disclosed |
| US-20120283257-A1 | PHARMACEUTICAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-08 | — | — | US | disclosed |
| US-8293735-B2 | Thienopyrimidine derivatives as P13K inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-23 | — | — | US | disclosed |
| US-8252792-B2 | Pyrimidine derivatives as PI3K inhibitors | F. HOFFMAN-LA ROCHE AG (CH) | 2012-08-28 | — | — | US | disclosed |
| US-20110021496-A1 | THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-01-27 | — | — | US | disclosed |
| EP-2150546-B1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | HOFFMANN LA ROCHE (CH) | 2011-01-19 | — | — | EP | disclosed |
| US-20100256143-A1 | PHARMACEUTICAL COMPOUNDS | BAKER STEWART JAMES | 2010-10-07 | — | — | US | disclosed |
| US-20100210646-A1 | 2-MORPHOLIN-4-YL-PYRIMIDINES AS PI3K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-19 | — | — | US | disclosed |
| US-20100130496-A1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-27 | — | — | US | disclosed |
| US-20100016306-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 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 (6 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-20120283257-A1 | PHARMACEUTICAL COMPOUNDS | PIK3CA, PIK3CD, PIK3R5 | VCAM1 2587/4885ALDH1A1 2773/4885POLB 421/4885 |
| US-20100210646-A1 | 2-MORPHOLIN-4-YL-PYRIMIDINES AS PI3K INHIBITORS | PIK3CA, PIK3CD, PIK3CB | VCAM1 2092/4885ALDH1A1 3027/4885POLB 770/4885 |
| US-20110021496-A1 | THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS | PIK3CA, PIK3CD, PIK3CB | VCAM1 1628/4885ALDH1A1 2075/4885POLB 979/4885 |
| US-20100256143-A1 | PHARMACEUTICAL COMPOUNDS | PIK3CA, PIK3CD, JAK2 | VCAM1 2018/4885ALDH1A1 1923/4885POLB 1095/4885 |
| US-20100130496-A1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | PIK3CA, PIP5K1B, PIK3CD | VCAM1 2468/4885ALDH1A1 2499/4885POLB 709/4885 |
| US-20100016306-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS | PIK3CA, PIK3CD, PIK3CB | VCAM1 2791/4885ALDH1A1 2864/4885POLB 133/4885 |
“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.