Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14866644 | 0.74 | PYCR1 (0.50) | ALDH1A1KDM4EGAASMN1; SMN2KMT2A | |
| SCHEMBL14865802 | 0.73 | ALDH1A1 (0.52) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL14850005 | 0.72 | HRH3 (0.44) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL15105476 | 0.68 | KMT2A (0.50) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL15105477 | 0.68 | KMT2A (0.50) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL981090 | 0.64 | GAA (0.57) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL13469227 | 0.64 | GAA (0.57) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL981091 | 0.64 | GAA (0.57) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL2636198 | 0.64 | HDAC8 (0.46) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL2636203 | 0.64 | HDAC8 (0.46) | ALDH1A1KDM4EGAANPC1RAB9A |
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 | ALDH1A1 4137/4885KDM4E 2063/4885GAA 1128/4885 |
“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.