Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25108882 | 0.75 | MAOB (0.44) | PYCR1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL14866646 | 0.74 | ALDH1A1 (0.39) | KDM4ESMN1; SMN2MEN1KMT2ACXCR3 | |
| SCHEMBL17193942 | 0.72 | PYCR1 (0.62) | PYCR1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL16980545 | 0.71 | PYCR1 (0.61) | PYCR1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL16980543 | 0.71 | PYCR1 (0.61) | PYCR1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL14866687 | 0.70 | L3MBTL1 (0.46) | KDM4ESMN1; SMN2MEN1KMT2AFKBP1A | |
| SCHEMBL6894409 | 0.69 | HRH3 (0.58) | PYCR1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL14850006 | 0.69 | HRH3 (0.49) | PYCR1KDM4ESMN1; SMN2KMT2AFKBP1A | |
| SCHEMBL3087967 | 0.69 | HTT (0.43) | CXCR3LSSMAPT | |
| SCHEMBL20004363 | 0.68 | PYCR1 (0.57) | PYCR1KDM4ESMN1; SMN2MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8853217-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-07 | — | — | US | disclosed |
| US-20130096139-A1 | Compounds Useful as Inhibitors of ATR Kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-18 | — | — | 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 (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-20130096139-A1 | Compounds Useful as Inhibitors of ATR Kinase | ATR, CHEK1, CHEK2 | PYCR1 2417/4885KDM4E 2063/4885SMN1; SMN2 1436/4885 |
“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.