Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | CNR1 | P21554 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | IGF1R | P08069 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8721207 | 0.85 | NTRK1 (0.63) | RAB9AALDH1A1MAPK1KDM4EHTT | |
| SCHEMBL4932787 | 0.82 | POLB (0.68) | POLBSMN1; SMN2CNR1RAB9ANPC1 | |
| SCHEMBL8721048 | 0.82 | GAA (0.59) | RAB9AALDH1A1MAPK1KDM4ETDP1 | |
| SCHEMBL10134867 | 0.81 | RAB9A (0.58) | SMN1; SMN2RAB9ANPC1ALDH1A1TSHR | |
| SCHEMBL28491335 | 0.81 | KCNQ3 (0.57) | POLBSMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL8725974 | 0.81 | GRM4 (0.49) | IGF1RKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL8498266 | 0.79 | F10 (0.48) | RAB9ANPC1ALDH1A1HTT | |
| SCHEMBL7861675 | 0.76 | GRM5 (0.65) | POLBSMN1; SMN2CNR1RAB9ANPC1 | |
| SCHEMBL6944159 | 0.76 | NTRK1 (0.61) | RAB9AALDH1A1MAPK1KDM4EEGFR | |
| SCHEMBL4273485 | 0.76 | HTT (0.61) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPK1 |
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-8962631-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| US-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-09 | — | — | 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-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | POLB 770/4885SMN1; SMN2 1678/4885CNR1 4047/4885 |
“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.