Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.39 |
| ▸ | CHRNA6 | Q15825 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.33 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL126540 | 1.00 | — | — | |
| SCHEMBL21391917 | 0.97 | CES2 (0.43) | CES2CES1CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL21391916 | 0.97 | CES2 (0.50) | CES2CES1CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL14273180 | 0.97 | CES2 (0.50) | CES2CES1CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL21391824 | 0.94 | CES2 (0.55) | CES2CES1CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL101983 | 0.93 | — | — | |
| SCHEMBL13397790 | 0.93 | — | — | |
| SCHEMBL1420 | 0.90 | — | — | |
| SCHEMBL9010935 | 0.90 | CES2 (0.58) | CES2CES1CHRNB2CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL22683575 | 0.90 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11319282-B2 | Diamine compound and method for producing same | LG CHEM, LTD. (KR) | 2022-05-03 | — | — | US | disclosed |
| US-10632120-B2 | Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction | EMORY UNIVERSITY (US) | 2020-04-28 | — | — | US | disclosed |
| US-20190292138-A1 | DIAMINE COMPOUND AND METHOD FOR PRODUCING SAME | LG CHEM, LTD. (KR) | 2019-09-26 | — | — | 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 (3 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-10632120-B2 | Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction | SHBG, ABAT, GLS | CES2 1180/4885CES1 637/4885CHRNB2 3413/4885 |
| US-20190292138-A1 | DIAMINE COMPOUND AND METHOD FOR PRODUCING SAME | DDC, CAD, AOC1 | CES2 4598/4885CES1 4869/4885CHRNB2 2975/4885 |
| US-11319282-B2 | Diamine compound and method for producing same | DDC, CAD, AOC1 | CES2 4598/4885CES1 4869/4885CHRNB2 2975/4885 |
“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.