Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL316611 | 0.84 | L3MBTL1 (0.51) | ALDH1A1HTTHSD11B1RAB9ASMN1; SMN2 | |
| SCHEMBL316531 | 0.80 | ALDH1A1 (0.52) | ALDH1A1HTTHSD11B1RAB9ASMN1; SMN2 | |
| SCHEMBL316180 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HTTHSD11B1RAB9ASMN1; SMN2 | |
| SCHEMBL316655 | 0.78 | ALDH1A1 (0.49) | ALDH1A1HTTHSD11B1RAB9ASMN1; SMN2 | |
| SCHEMBL315994 | 0.78 | ALDH1A1 (0.49) | ALDH1A1HTTHSD11B1RAB9ASMN1; SMN2 | |
| SCHEMBL316412 | 0.76 | L3MBTL1 (0.51) | ALDH1A1HTTHSD11B1RAB9ASMN1; SMN2 | |
| SCHEMBL315480 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KMT2AL3MBTL1MAPT | |
| SCHEMBL316570 | 0.75 | ALDH1A1 (0.56) | ALDH1A1HTTHSD11B1RAB9ASMN1; SMN2 | |
| SCHEMBL1327290 | 0.73 | ALDH1A1 (0.49) | ALDH1A1HTTHSD11B1RAB9ASMN1; SMN2 | |
| SCHEMBL315816 | 0.73 | ALDH1A1 (0.52) | ALDH1A1HTTHSD11B1RAB9ASMN1; SMN2 |
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-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 |
| US-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-06-07 | — | — | US | 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 440/4885HSD11B1 689/4885 |
“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.