Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL315816 | 0.93 | ALDH1A1 (0.52) | ALDH1A1HTTP2RX7ATMHSD11B1 | |
| SCHEMBL316867 | 0.78 | CNR2 (0.54) | ALDH1A1CNR2CNR1 | |
| SCHEMBL316670 | 0.78 | CNR2 (0.56) | ALDH1A1CNR2CNR1KMT2AMEN1 | |
| SCHEMBL316655 | 0.77 | ALDH1A1 (0.49) | ALDH1A1HTTATMHSD11B1RAB9A | |
| SCHEMBL315994 | 0.77 | ALDH1A1 (0.49) | ALDH1A1HTTHSD11B1RAB9ACNR2 | |
| SCHEMBL316531 | 0.75 | ALDH1A1 (0.52) | ALDH1A1HTTATMHSD11B1RAB9A | |
| SCHEMBL314971 | 0.75 | ALDH1A1 (0.56) | ALDH1A1HTTATMHSD11B1RAB9A | |
| SCHEMBL316412 | 0.75 | L3MBTL1 (0.51) | ALDH1A1HTTATMHSD11B1RAB9A | |
| SCHEMBL316180 | 0.74 | ALDH1A1 (0.51) | ALDH1A1HTTATMHSD11B1RAB9A | |
| SCHEMBL2987821 | 0.74 | ATF4 (0.58) | ALDH1A1RAB9AKMT2AMEN1LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745009-B1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2012-11-14 | — | — | EP | claimed |
| US-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | claimed |
| JP-2007536321-A | — | — | 2007-12-13 | — | — | JP | claimed |
| US-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-06-07 | — | — | US | claimed |
| EP-1745009-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-01-24 | — | — | EP | claimed |
| WO-2005110971-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | claimed |
| EP-1745009-B1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2012-11-14 | — | — | EP | disclosed |
| US-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | disclosed |
| US-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-06-07 | — | — | 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-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | DDC, DPYD, PKD1 | ALDH1A1 119/4885HTT 440/4885P2RX7 2408/4885 |
“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.