Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12040571 | 0.93 | MAOB (0.58) | HTR2ALMNAMAOBNPC1RAB9A | |
| SCHEMBL654154 | 0.90 | TAAR1 (0.56) | LMNAMAOBNPC1RAB9ATAAR1 | |
| SCHEMBL2320532 | 0.89 | TAAR1 (0.62) | MAOBTAAR1 | |
| SCHEMBL9069707 | 0.87 | HTR2A (0.75) | HTR2AMAOBALDH1A1SIGMAR1MAOA | |
| SCHEMBL10574057 | 0.84 | TAAR1 (0.62) | MAOBTAAR1 | |
| SCHEMBL15347959 | 0.84 | HTR2A (0.71) | HTR2AMAOBALDH1A1SIGMAR1MAOA | |
| SCHEMBL54347 | 0.84 | HTR2A (0.70) | HTR2AMAOBTAAR1ALDH1A1SIGMAR1 | |
| SCHEMBL19651375 | 0.82 | MAOB (0.64) | MAOBTAAR1 | |
| SCHEMBL10571903 | 0.81 | TAAR1 (0.59) | MAOBTAAR1 | |
| SCHEMBL10831414 | 0.81 | HTR2A (0.67) | HTR2AMAOBTAAR1ALDH1A1SIGMAR1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102249879-B | 1,2-diketone derivant and preparation method thereof | UNIV ZHEJIANG | 2013-04-17 | — | — | CN | claimed |
| CN-102249879-A | 1,2-diketone derivant and preparation method thereof | UNIV ZHEJIANG | 2011-11-23 | — | — | CN | claimed |
| CN-110452270-B | Azacarbene palladium complex crystal, synthesis method thereof and application thereof in preparation of alpha, beta-unsaturated ketone compound | 陕西师范大学 | 2022-02-25 | — | — | CN | disclosed |
| CN-109776293-A | A method of 1,3- cyclohexadione compounds are prepared with acetylenic ketone | 温州大学 | 2019-05-21 | — | — | CN | disclosed |
| CN-102249879-B | 1,2-diketone derivant and preparation method thereof | UNIV ZHEJIANG | 2013-04-17 | — | — | CN | disclosed |
| CN-102249879-A | 1,2-diketone derivant and preparation method thereof | UNIV ZHEJIANG | 2011-11-23 | — | — | CN | disclosed |
| US-7250510-B2 | Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations | TOTAL SYNTHESIS, LTD. (CA) | 2007-07-31 | — | — | US | disclosed |
| US-7250510-B2 | Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations | TOTAL SYNTHESIS, LTD. (CA) | 2007-07-31 | — | — | US | disclosed |
| US-20070073055-A1 | Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations | TOTAL SYNTHESIS, LTD. (CA) | 2007-03-29 | — | — | US | disclosed |
| US-20070073055-A1 | Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations | TOTAL SYNTHESIS, LTD. (CA) | 2007-03-29 | — | — | US | disclosed |
| EP-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | disclosed |
| WO-2001064644-A1 | DICHLOROPYRIDYL- AND DICHLOROISOTHIAZOLYL-THIOCARBOXAMIDES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-09-07 | — | — | 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-20070073055-A1 | Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations | NDC1, NBAS, NUDC | HTR2A 3463/4885LMNA 1075/4885MAOB 342/4885 |
“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.