Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 3/20 | 0.34 |
| ▸ | BRAF | P15056 | 3/20 | 0.34 |
| ▸ | PIM1 | P11309 | 4/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.34 |
| ▸ | WNT1 | P04628 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14865817 | 0.89 | RAF1 (0.36) | KDM4EALDH1A1NPC1RAB9AHSD17B10 | |
| SCHEMBL14866794 | 0.87 | ATR (0.45) | — | |
| SCHEMBL14865899 | 0.86 | PRKCZ (0.39) | PIM1PIM2PIM3 | |
| SCHEMBL14865776 | 0.86 | PRKCZ (0.39) | PIM1PIM2PIM3 | |
| SCHEMBL14865722 | 0.86 | PRKCZ (0.39) | PIM1PIM2PIM3 | |
| SCHEMBL14865728 | 0.82 | CHEK1 (0.50) | RAF1BRAFPIM1PIM2PIM3 | |
| SCHEMBL14865648 | 0.82 | LTA4H (0.43) | KDM4EALDH1A1NPC1RAB9AHSD17B10 | |
| SCHEMBL14865779 | 0.82 | RAF1 (0.38) | RAF1BRAFPIM1PIM2PIM3 | |
| SCHEMBL14865701 | 0.81 | KDM4E (0.43) | KDM4EALDH1A1NPC1RAB9AHSD17B10 | |
| SCHEMBL14865757 | 0.80 | RAF1 (0.41) | KDM4EALDH1A1HSD17B10HPGDCYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130095193-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-20130095193-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | KDM4E 2063/4885ALDH1A1 4137/4885NPC1 3546/4885 |
“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.