Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 5/20 | 0.36 |
| ▸ | FPR3 | P25089 | 4/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10277377 | 0.91 | NPC1 (0.43) | CTSSCTSKNPC1RECQLRAB9A | |
| SCHEMBL1241387 | 0.83 | AAK1 (0.46) | CTSSCTSKNPC1RECQLRAB9A | |
| SCHEMBL30771337 | 0.81 | AAK1 (0.48) | CTSSCTSKNPC1RECQLRAB9A | |
| SCHEMBL15786509 | 0.79 | TDP1 (0.43) | CTSSCTSKNPC1RECQLRAB9A | |
| SCHEMBL5877530 | 0.78 | AAK1 (0.50) | CTSSCTSKNPC1RECQLRAB9A | |
| SCHEMBL2552301 | 0.78 | AAK1 (0.50) | CTSSCTSKNPC1RECQLRAB9A | |
| SCHEMBL30257063 | 0.78 | AAK1 (0.47) | CTSSCTSKNPC1RECQLRAB9A | |
| SCHEMBL255676 | 0.78 | AAK1 (0.50) | CTSSCTSKNPC1RECQLRAB9A | |
| SCHEMBL17373694 | 0.78 | AAK1 (0.47) | CTSSCTSKNPC1RECQLRAB9A | |
| SCHEMBL1554098 | 0.78 | AAK1 (0.47) | CTSSCTSKNPC1RECQLRAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8969356-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-03-03 | — | — | US | disclosed |
| US-8569492-B2 | Method for preparing halofuginone derivative | WANG XIAOQI (CN) | 2013-10-29 | — | — | US | disclosed |
| US-20120178756-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120178929-A1 | METHOD FOR PREPARING HALOFUGINONE DERIVATIVE | WANG XIAOQI (CN) | 2012-07-12 | — | — | 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 (2 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-20120178756-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | CTSS 4075/4885CTSK 2921/4885NPC1 4238/4885 |
| US-20120178929-A1 | METHOD FOR PREPARING HALOFUGINONE DERIVATIVE | MMP1, FGF2, TFPI2 | CTSS 491/4885CTSK 189/4885NPC1 2223/4885 |
“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.