Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.46 |
| ▸ | TSHR | P16473 | 10/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4871921 | 0.90 | CTSL (0.47) | CTSLCTSSCYP3A4TSHRALDH1A1 | |
| SCHEMBL4868422 | 0.89 | CYP1A2 (0.48) | CTSLCTSSCYP3A4TSHRALDH1A1 | |
| SCHEMBL4871805 | 0.88 | CTSL (0.50) | CTSLCTSS | |
| SCHEMBL4865108 | 0.81 | CTSK (0.49) | CTSLCTSSALDH1A1 | |
| SCHEMBL4865149 | 0.80 | ALDH1A1 (0.45) | CTSLCTSSCYP3A4TSHRALDH1A1 | |
| SCHEMBL4868448 | 0.80 | CYP1A2 (0.50) | CTSLCTSSCYP3A4TSHRALDH1A1 | |
| SCHEMBL2985108 | 0.78 | OPRM1 (0.45) | TSHRALDH1A1ATMGAAMEN1 | |
| SCHEMBL4863435 | 0.78 | CYP1A2 (0.46) | CTSLCTSSCYP3A4TSHRALDH1A1 | |
| SCHEMBL4867960 | 0.77 | SCN9A (0.49) | CTSLCTSS | |
| SCHEMBL16143767 | 0.76 | OPRM1 (0.40) | TSHRALDH1A1GAAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7439394-B2 | Cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2008-10-21 | — | — | US | claimed |
| US-20070117803-A1 | Cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-05-24 | — | — | US | claimed |
| US-7439394-B2 | Cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2008-10-21 | — | — | US | disclosed |
| US-20070117803-A1 | Cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-05-24 | — | — | 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-20070117803-A1 | Cyclohexyl-1,4-diamine compounds | PKD1, DDC, DPYD | CTSL 2008/4885CTSS 1167/4885CYP3A4 335/4885 |
“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.