Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.67 |
| ▸ | RAB9A | P51151 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | TSPO | P30536 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | PYGL | P06737 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7135596 | 0.81 | NPC1 (0.73) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL11537320 | 0.79 | NPC1 (0.69) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL11192974 | 0.78 | NPC1 (0.85) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL5639645 | 0.77 | NPC1 (0.67) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL5638849 | 0.77 | KDM4E (0.53) | KMT2ASMN1; SMN2ALDH1A1MEN1PYGL | |
| SCHEMBL1921083 | 0.76 | NPC1 (0.59) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL20954579 | 0.76 | NPC1 (0.82) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL3163935 | 0.75 | NPC1 (0.75) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL544272 | 0.75 | NPC1 (0.75) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL1516137 | 0.75 | NPC1 (0.75) | NPC1RAB9AKMT2ACA12CA9 |
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-7220856-B2 | Substituted quinoline CCR5 receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2007-05-22 | — | — | US | disclosed |
| US-20040072818-A1 | Substituted quinoline CCR5 receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-04-15 | — | — | 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-20040072818-A1 | Substituted quinoline CCR5 receptor antagonists | CCR5, CXCR3, CCR2 | NPC1 449/4885RAB9A 794/4885KMT2A 3541/4885 |
“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.