Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.67 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.67 |
| ▸ | HDAC4 | P56524 | 8/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 8/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 8/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 8/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 8/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 7/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4075171 | 0.96 | ALDH1A1 (0.62) | ALDH1A1AKR1C3AKR1C1HDAC4HDAC1 | |
| SCHEMBL6296181 | 0.77 | HDAC4 (0.75) | HDAC4HDAC1HDAC7HDAC11HDAC8 | |
| SCHEMBL8650396 | 0.76 | HDAC4 (0.65) | HDAC4HDAC1HDAC7HDAC11HDAC8 | |
| SCHEMBL11162134 | 0.76 | CYP3A4 (0.71) | HDAC4HDAC1HDAC7HDAC11HDAC8 | |
| SCHEMBL18061419 | 0.75 | ALDH1A1 (0.74) | ALDH1A1AKR1C3AKR1C1POLBMEN1 | |
| SCHEMBL14934810 | 0.75 | HDAC4 (0.64) | HDAC4HDAC1HDAC7HDAC11HDAC8 | |
| SCHEMBL11763815 | 0.74 | ALDH1A1 (0.63) | ALDH1A1AKR1C3AKR1C1POLBMEN1 | |
| SCHEMBL11765892 | 0.74 | ALDH1A1 (0.63) | ALDH1A1AKR1C3AKR1C1POLBMEN1 | |
| SCHEMBL14934830 | 0.74 | HDAC4 (0.67) | HDAC4HDAC1HDAC7HDAC11HDAC8 | |
| SCHEMBL14934660 | 0.74 | HDAC4 (0.67) | HDAC4HDAC1HDAC7HDAC11HDAC8 |
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 6 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 |
| EP-1745010-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110974-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | 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 | ALDH1A1 158/4885AKR1C3 517/4885AKR1C1 381/4885 |
“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.