Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.53 |
| ▸ | RAB9A | P51151 | 7/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.53 |
| ▸ | RELA | Q04206 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | SCD | O00767 | 6/20 | 0.42 |
| ▸ | TOP1 | P11387 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL16276157 | 0.93 | NPC1 (0.51) | NPC1RAB9AKDM4ENFKB1NFKB2 | |
| SCHEMBL16276105 | 0.93 | NPC1 (0.51) | NPC1RAB9AKDM4ENFKB1NFKB2 | |
| SCHEMBL16276192 | 0.93 | NPC1 (0.57) | NPC1RAB9AKDM4ENFKB1NFKB2 | |
| SCHEMBL16276371 | 0.92 | NPC1 (0.51) | NPC1RAB9AKDM4ENFKB1NFKB2 | |
| SCHEMBL16276155 | 0.92 | NPC1 (0.52) | NPC1RAB9AKDM4ENFKB1NFKB2 | |
| SCHEMBL17708494 | 0.90 | NPC1 (0.51) | NPC1RAB9AKDM4ENFKB1NFKB2 | |
| SCHEMBL16276348 | 0.89 | NPC1 (0.53) | NPC1RAB9AKDM4ENFKB1NFKB2 | |
| SCHEMBL17708488 | 0.89 | KDM4E (0.53) | NPC1RAB9AKDM4ENFKB1NFKB2 | |
| SCHEMBL16276301 | 0.87 | NPC1 (0.55) | NPC1RAB9AKDM4ENFKB1NFKB2 | |
| SCHEMBL16276111 | 0.87 | NPC1 (0.60) | NPC1RAB9AKDM4ENFKB1NFKB2 |
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-9630957-B2 | 2,3-butanediamide epoxide compound and preparation method and use thereof | INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) | 2017-04-25 | — | — | US | disclosed |
| US-20160115160-A1 | 2, 3-Butanediamide Epoxide Compound and Preparation Method and Use Thereof | INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) | 2016-04-28 | — | — | US | disclosed |
| WO-2014190899-A1 | 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF | 中国人民解放军军事医学科学院毒物药物研究所 (CN) | 2014-12-04 | — | — | WO | 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-20160115160-A1 | 2, 3-Butanediamide Epoxide Compound and Preparation Method and Use Thereof | ECE2, GNE, EPHX2 | NPC1 697/4885RAB9A 1370/4885KDM4E 883/4885 |
“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.