Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PIM2 | Q9P1W9 | 9/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10255805 | 0.99 | RAB9A (0.52) | RAB9ANPC1TSHRPIM2ALDH1A1 | |
| SCHEMBL10255301 | 0.92 | ALDH1A1 (0.53) | RAB9ATSHRPIM2ALDH1A1HPGD | |
| SCHEMBL10255318 | 0.88 | PIM2 (0.56) | RAB9ANPC1TSHRPIM2ALDH1A1 | |
| SCHEMBL14822722 | 0.87 | NPC1 (0.56) | RAB9ANPC1TSHRPIM2ALDH1A1 | |
| SCHEMBL10255326 | 0.86 | CKS1B (0.52) | RAB9ANPC1TSHRPIM2ALDH1A1 | |
| SCHEMBL10256569 | 0.86 | CKS1B (0.52) | RAB9ANPC1TSHRPIM2ALDH1A1 | |
| SCHEMBL10255830 | 0.85 | CKS1B (0.51) | RAB9ANPC1TSHRPIM2ALDH1A1 | |
| SCHEMBL10255255 | 0.85 | PIM2 (0.44) | RAB9ANPC1TSHRPIM2ALDH1A1 | |
| SCHEMBL10255788 | 0.85 | NPC1 (0.52) | RAB9ANPC1TSHRPIM2HSD17B10 | |
| SCHEMBL10255249 | 0.85 | CKS1B (0.57) | RAB9ANPC1TSHRPIM2MEN1 |
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-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | 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-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | RAB9A 2267/4885NPC1 4100/4885TSHR 2139/4885 |
“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.