Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL287086 | 0.82 | PDCD1 (0.39) | NCEH1PDCD1CD274SHBGGABRA1 | |
| SCHEMBL31719921 | 0.78 | PDCD1 (0.33) | PDCD1CD274 | |
| SCHEMBL358606 | 0.78 | PDCD1 (0.43) | PDCD1CD274SHBGCYP1A2CYP2A6 | |
| SCHEMBL128934 | 0.77 | PON1 (0.40) | NCEH1GABRA1GABRB2 | |
| SCHEMBL6406593 | 0.77 | NCEH1 (0.34) | NCEH1CYP1A2GABRA1GABRB2 | |
| Phosphine SCHEMBL3840466 | 0.76 | PDCD1 (0.42) | PDCD1CD274SHBGCYP1A2CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL439692 | 0.76 | PDCD1 (0.42) | PDCD1CD274SHBGCYP1A2CYP2A6 | |
| SCHEMBL10557023 | 0.76 | SHBG (0.39) | PDCD1CD274SHBG | |
| SCHEMBL128869 | 0.75 | SMN1; SMN2 (0.50) | NCEH1CYP1A2TSHR | |
| SCHEMBL205613 | 0.74 | PDCD1 (0.36) | PDCD1CD274SHBGCYP1A2CYP2A6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11077090-B2 | Compounds and compositions and uses thereof | SUNOVION PHARMACEUTICALS INC. (MA) | 2021-08-03 | — | — | US | disclosed |
| EP-3490607-A1 | COMPOUNDS AND COMPOSITIONS AND USES THEREOF | Sunovion Pharmaceuticals Inc. (US) | 2019-06-05 | — | — | EP | disclosed |
| WO-2018023070-A1 | COMPOUNDS AND COMPOSITIONS AND USES THEREOF | SUNOVION PHARMACEUTICALS, INC. (US) | 2018-02-01 | — | — | WO | disclosed |
| US-20180028492-A1 | COMPOUNDS AND COMPOSITIONS AND USES THEREOF | PGI DRUG DISCOVERY LLC | 2018-02-01 | — | — | US | disclosed |
| US-9227966-B2 | Antimicrobial agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2016-01-05 | — | — | US | disclosed |
| US-8933096-B2 | Antimicrobial agents | Rugers, The State University of New Jersey (US) | 2015-01-13 | — | — | US | disclosed |
| US-20140315939-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-10-23 | — | — | US | disclosed |
| US-20130116278-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2013-05-09 | — | — | US | disclosed |
| US-20120059026-A1 | ANTIMICROBIAL AGENTS | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2012-03-08 | — | — | 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 (5 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-20130116278-A1 | ANTIMICROBIAL AGENTS | MRPL21, ARG1, RPP30 | NCEH1 3014/4885PDCD1 4176/4885CD274 3356/4885 |
| US-20120059026-A1 | ANTIMICROBIAL AGENTS | ZYX, Q6ZSR9, ZC3HAV1L | NCEH1 990/4885PDCD1 4544/4885CD274 4209/4885 |
| US-11077090-B2 | Compounds and compositions and uses thereof | ACHE, CHAT, MAOB | NCEH1 456/4885PDCD1 4720/4885CD274 4809/4885 |
| US-20180028492-A1 | COMPOUNDS AND COMPOSITIONS AND USES THEREOF | ACHE, CHAT, MAOB | NCEH1 456/4885PDCD1 4720/4885CD274 4809/4885 |
| US-20140315939-A1 | ANTIMICROBIAL AGENTS | ZYX, Q6ZSR9, ZC3HAV1L | NCEH1 1101/4885PDCD1 4541/4885CD274 4203/4885 |
“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.