Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.85 |
| ▸ | RAB9A | P51151 | 3/20 | 0.85 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.77 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | BCHE | P06276 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | TSPO | P30536 | 1/20 | 0.55 |
| ▸ | CDK4 | P11802 | 1/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4074355 | 0.95 | NPC1 (0.77) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL16831598 | 0.91 | NPC1 (0.77) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL6609569 | 0.90 | NPC1 (0.70) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL415549 | 0.90 | RAB9A (0.74) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL5110210 | 0.88 | NPC1 (0.72) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL14946877 | 0.88 | NPC1 (0.72) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL7761239 | 0.88 | NPC1 (0.72) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL8017184 | 0.88 | NPC1 (0.72) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL1690816 | 0.87 | NPC1 (0.82) | NPC1RAB9AKMT2ACA12CA9 | |
| SCHEMBL12290151 | 0.87 | NPC1 (0.82) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745010-B1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | claimed |
| US-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | claimed |
| EP-1745010-B1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | disclosed |
| US-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | 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-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | PKD1, DDC, DPYD | NPC1 46/4885RAB9A 587/4885KMT2A 3604/4885 |
“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.