Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.52 |
| ▸ | NOD1 | Q9Y239 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.50 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL24669959 | 0.73 | NOD1 (0.57) | ALDH1A1SMN1; SMN2P2RX4L3MBTL1ALDH3A1 | |
| SCHEMBL29394903 | 0.71 | P2RX4 (1.00) | ALDH1A1SMN1; SMN2P2RX4L3MBTL1GAA | |
| SCHEMBL22481364 | 0.71 | P2RX4 (0.62) | ALDH1A1P2RX4L3MBTL1ALDH3A1GAA | |
| SCHEMBL29172142 | 0.70 | L3MBTL1 (0.65) | P2RX4L3MBTL1GAAHTTNPSR1 | |
| SCHEMBL1412652 | 0.69 | L3MBTL1 (0.65) | ALDH1A1SMN1; SMN2P2RX4L3MBTL1GAA | |
| Phenazine SCHEMBL29879113 | 0.69 | KDM4E (0.58) | ALDH1A1SMN1; SMN2L3MBTL1ALDH3A1NOD1 | |
| SCHEMBL29436330 | 0.69 | L3MBTL1 (0.65) | ALDH1A1SMN1; SMN2P2RX4L3MBTL1GAA | |
| Phenazine SCHEMBL29609188 | 0.69 | KDM4E (0.58) | ALDH1A1SMN1; SMN2L3MBTL1ALDH3A1NOD1 | |
| SCHEMBL27838814 | 0.67 | PIK3CA (0.80) | ALDH1A1SMN1; SMN2L3MBTL1POLBHPGD | |
| SCHEMBL10107599 | 0.67 | NOD1 (1.00) | ALDH1A1L3MBTL1ALDH3A1NOD1GAA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2056829-B9 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS INC (US) | 2012-09-26 | — | — | EP | claimed |
| EP-2056829-B1 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS INC (US) | 2012-01-04 | — | — | EP | claimed |
| US-20140100215-A1 | Methods of Using PI3K and MEK Modulators | EXELIXIS, INC. (US) | 2014-04-10 | — | — | US | disclosed |
| US-8642584-B2 | Method of using PI3K and MEK modulators | EXELIXIS, INC. (US) | 2014-02-04 | — | — | US | disclosed |
| US-8642584-B2 | Method of using PI3K and MEK modulators | EXELIXIS, INC. (US) | 2014-02-04 | — | — | US | disclosed |
| US-20120302545-A1 | Method of Using PI3K and MEK Modulators | EXELIXIS, INC. (US) | 2012-11-29 | — | — | US | disclosed |
| US-20100075947-A1 | Methods of Using PI3K and MEK Modulators | EXELIXIS, INC. (US) | 2010-03-25 | — | — | US | disclosed |
| US-20100075947-A1 | Methods of Using PI3K and MEK Modulators | EXELIXIS, INC. (US) | 2010-03-25 | — | — | US | disclosed |
| US-20100075947-A1 | Methods of Using PI3K and MEK Modulators | EXELIXIS, INC. (US) | 2010-03-25 | — | — | 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 (3 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-20100075947-A1 | Methods of Using PI3K and MEK Modulators | PIK3CA, PIK3CD, PIK3R1 | ALDH1A1 4075/4885SMN1; SMN2 4624/4885P2RX4 3066/4885 |
| US-20140100215-A1 | Methods of Using PI3K and MEK Modulators | PIK3CA, PIK3CD, PIK3R1 | ALDH1A1 4075/4885SMN1; SMN2 4624/4885P2RX4 3066/4885 |
| US-20120302545-A1 | Method of Using PI3K and MEK Modulators | PIK3CA, PIK3CD, PIK3R1 | ALDH1A1 4089/4885SMN1; SMN2 4676/4885P2RX4 2719/4885 |
“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.