Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | BRAF | P15056 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | ATR | Q13535 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CD38 | P28907 | 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 | |
|---|---|---|---|---|
| SCHEMBL10134797 | 0.87 | CDK2 (0.57) | NPC1RAB9ABRAFPOLBSMN1; SMN2 | |
| SCHEMBL30097461 | 0.82 | RAB9A (0.51) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL23413086 | 0.82 | RAB9A (0.51) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL10134816 | 0.82 | JAK2 (0.53) | NPC1RAB9AKMT2ABRAFPOLB | |
| SCHEMBL23412909 | 0.81 | NPC1 (0.50) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL23412804 | 0.81 | NPC1 (0.50) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL30097507 | 0.81 | NPC1 (0.50) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL10134810 | 0.81 | RAB9A (0.56) | NPC1RAB9AHPGDMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL23412900 | 0.81 | NPC1 (0.49) | NPC1RAB9AHPGDMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL30097556 | 0.81 | NPC1 (0.49) | NPC1RAB9AHPGDMEN1KMT2A |
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 | NPC1 4143/4885RAB9A 3156/4885HPGD 3072/4885 |
“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.