Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | NPC1 | O15118 | 8/20 | 0.43 |
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.43 |
| ▸ | HPGD | P15428 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 5/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL14865852 | 0.89 | ATR (0.45) | KDM4EALDH1A1NPC1RAB9AHSD17B10 | |
| SCHEMBL14866837 | 0.88 | ATR (0.51) | ATR | |
| SCHEMBL14865651 | 0.87 | ATR (0.34) | MEN1KMT2AATRS1PR1 | |
| SCHEMBL14865648 | 0.86 | LTA4H (0.43) | KDM4EALDH1A1NPC1RAB9AHSD17B10 | |
| SCHEMBL14865671 | 0.85 | ATR (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19ATR | |
| SCHEMBL14865670 | 0.84 | ATR (0.38) | NPC1RAB9AKMT2AATRCYP11B1 | |
| SCHEMBL14865610 | 0.82 | ATR (0.41) | KDM4EALDH1A1RAB9AHSD17B10MAPT | |
| SCHEMBL14865817 | 0.82 | RAF1 (0.36) | KDM4EALDH1A1NPC1RAB9AHSD17B10 | |
| SCHEMBL14865759 | 0.81 | KDM4E (0.35) | KDM4EALDH1A1NPC1RAB9AHSD17B10 | |
| SCHEMBL14865710 | 0.81 | ATR (0.39) | ATR |
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.