Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.33 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5778880 | 0.84 | CES2 (0.48) | IDO1TDO2CES2PNMT | |
| SCHEMBL15537637 | 0.81 | GABRA1 (0.33) | — | |
| SCHEMBL13349992 | 0.81 | NOTUM (0.43) | NOTUMIDO1TDO2ACP1S1PR1 | |
| SCHEMBL29927570 | 0.81 | NOTUM (0.43) | NOTUMIDO1TDO2ACP1S1PR1 | |
| SCHEMBL3588498 | 0.79 | NOTUM (0.42) | NOTUMIDO1TDO2ACP1S1PR1 | |
| SCHEMBL3584929 | 0.79 | NOTUM (0.42) | NOTUMIDO1TDO2ACP1S1PR1 | |
| SCHEMBL23528853 | 0.78 | DAO (0.33) | IDO1TDO2 | |
| SCHEMBL1082212 | 0.78 | NOTUM (0.50) | NOTUMIDO1CES2ACP1S1PR1 | |
| SCHEMBL131138 | 0.78 | NOTUM (0.50) | NOTUMIDO1TDO2CES2ACP1 | |
| SCHEMBL27083571 | 0.78 | DAO (0.33) | IDO1TDO2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023036217-A1 | ACRYLAMIDE COMPOUND AND USE THEREOF | 南京明德新药研发有限公司 | 2023-03-16 | — | — | WO | disclosed |
| CN-104245702-B | New type nerve kassinin kinin 1 receptor agonist compounds | 利奥制药有限公司 | 2016-09-14 | — | — | CN | disclosed |
| EP-2817312-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA AS (DK) | 2016-02-17 | — | — | EP | disclosed |
| EP-2817312-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA AS (DK) | 2016-02-17 | — | — | EP | disclosed |
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | WO | disclosed |
| US-20040152903-A1 | 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides | KUREHA CORPORATION (JP) | 2004-08-05 | — | — | US | disclosed |
| EP-1375483-A1 | 6-CHLORO-3-PYRIDYLMETHYLPROPYLAMINE DERIVATIVES, PREPARATION PROCESS THEREOF AND BACTERICIDES | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2004-01-02 | — | — | EP | 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-20040152903-A1 | 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides | PGLS, TLR6, UROD | NOTUM 1595/4885IDO1 38/4885TDO2 83/4885 |
“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.