Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL28464031 | 0.87 | KCNH2 (0.47) | CHATKCNH2APPRAB9AL3MBTL1 | |
| SCHEMBL3798634 | 0.86 | APP (0.55) | CHATKCNH2APPRAB9AACACB | |
| SCHEMBL6364670 | 0.86 | CHAT (0.68) | CHATAPPACACBTDP1GRM5 | |
| SCHEMBL5183471 | 0.81 | CSF1R (0.49) | CHATKCNH2APPRAB9AL3MBTL1 | |
| SCHEMBL2773275 | 0.80 | CHAT (0.66) | CHATKCNH2APPRAB9AACACB | |
| SCHEMBL29793886 | 0.80 | CHAT (0.66) | CHATKCNH2APPRAB9AACACB | |
| Benzene SCHEMBL28841286 | 0.80 | CHAT (0.66) | CHATKCNH2APPRAB9AACACB | |
| SCHEMBL2776015 | 0.78 | CHAT (0.60) | CHATACACBTDP1GRM5KMT2A | |
| SCHEMBL21437167 | 0.78 | APP (0.54) | KCNH2APPRAB9AL3MBTL1TDP1 | |
| SCHEMBL29661843 | 0.78 | CHAT (0.60) | CHATACACBTDP1GRM5KMT2A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104892377-B | A kind of synthetic method of 1,2 derovatives | 上海交通大学 | 2018-01-19 | — | — | CN | claimed |
| CN-106883188-A | A kind of benzodiazepine compounds of 5 hydrogen 1,4 and its synthetic method | 上海交通大学 | 2017-06-23 | — | — | CN | claimed |
| CN-106902123-B | Application of 5-hydro-1, 4-benzodiazepine compound in treating liver cancer | 上海交通大学 | 2020-08-25 | — | — | CN | disclosed |
| CN-106883188-B | 5-hydrogen-1, 4-benzodiazepine compound and synthesis method thereof | 上海交通大学 | 2020-06-30 | — | — | CN | disclosed |
| US-9879004-B2 | Substituted acetylene derivatives and their use as positive allosteric modulators of mGluR4 | MERCK PATENT GMBH (DE) | 2018-01-30 | — | — | US | disclosed |
| CN-104892377-B | A kind of synthetic method of 1,2 derovatives | 上海交通大学 | 2018-01-19 | — | — | CN | disclosed |
| CN-106902123-A | Application of the benzodiazepine compounds of 5 hydrogen 1,4 in liver cancer is treated | 上海交通大学 | 2017-06-30 | — | — | CN | disclosed |
| US-20150376182-A1 | Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 | MERCK PATENT GMBH (DE) | 2015-12-31 | — | — | US | disclosed |
| US-8124584-B2 | Macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2012-02-28 | — | — | US | disclosed |
| US-20090304629-A1 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | MIAO ZHENWEI | 2009-12-10 | — | — | US | disclosed |
| US-7601709-B2 | Macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2009-10-13 | — | — | US | disclosed |
| EP-1590442-A4 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARM INC (US) | 2007-07-18 | — | — | EP | disclosed |
| EP-1590442-A3 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | Enanta Pharmaceuticals, Inc. (US) | 2005-11-03 | — | — | EP | disclosed |
| EP-1590442-A2 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | Enanta Pharmaceuticals, Inc. (US) | 2005-11-02 | — | — | EP | disclosed |
| US-20050153877-A1 | Macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. | 2005-07-14 | — | — | US | disclosed |
| WO-2004072243-A2 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2004-08-26 | — | — | 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 (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-20150376182-A1 | Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 | GRM4, GRIA4, GRIK4 | CHAT 547/4885KCNH2 2236/4885APP 4047/4885 |
| US-20050153877-A1 | Macrocyclic hepatitis C serine protease inhibitors | PRSS1, SPINT2, TMPRSS4 | CHAT 4809/4885KCNH2 4076/4885APP 1367/4885 |
| US-20090304629-A1 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | PRSS1, SPINT2, TMPRSS4 | CHAT 4804/4885KCNH2 4188/4885APP 1319/4885 |
“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.