Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27765697 | 0.83 | TUBB1 (0.36) | MAPTNPSR1AKR1B1TUBB1POLB | |
| SCHEMBL9678363 | 0.82 | TUBB1 (0.40) | MAPTNPSR1AKR1B1TUBB1POLB | |
| SCHEMBL6078582 | 0.81 | NPSR1 (0.34) | MAPTNPSR1AKR1B1TUBB1POLB | |
| SCHEMBL21614377 | 0.78 | ESR1 (0.42) | MAPTNPSR1TUBB1HTTALOX5 | |
| SCHEMBL8093719 | 0.78 | TUBB1 (0.44) | MAPTTUBB1HTR2AHTR2CLMNA | |
| SCHEMBL6823575 | 0.77 | ERN1 (0.47) | MAPTTUBB1POLBL3MBTL1LMNA | |
| Bromide SCHEMBL29739052 | 0.76 | TUBB1 (0.42) | MAPTTUBB1HTR2AHTR2CLMNA | |
| SCHEMBL31552000 | 0.75 | PRKDC (0.58) | MAPTL3MBTL1LMNAPRKDC | |
| SCHEMBL17051176 | 0.75 | PKM (0.40) | MAPTPOLBL3MBTL1MAPK1HTT | |
| SCHEMBL27779814 | 0.75 | HTR1A (0.36) | HTR2AHTR2CHTR2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103180312-B | Be used for the treatment of or prevent the heterogeneous ring compound of the disorder that the reduction because of the nerve conduction of thrombotonin, norepinephrine or Dopamine HCL causes | OTSUKA PHARMACEUTICAL CO.,LTD. (JP) | 2016-01-20 | — | — | CN | disclosed |
| CN-102076694-A | 5, 6, 7, 8-tetrahydro-imidazo[1, 5-a]pyrazine compounds | ACTELION PHARMACEUTICALS LTD | 2011-05-25 | — | — | CN | disclosed |
| US-7098344-B2 | Reaction of carbonyl compounds with organometallic reagents | MERCK PATENT GMBH (DE) | 2006-08-29 | — | — | US | disclosed |
| US-20030004357-A1 | Reaction of carbonyl compounds with organometallic reagents | MERCK PATENT GMBH (DE) | 2003-01-02 | — | — | US | disclosed |
| CN-1023699-C | Difluoromethyl compounds | MERCK PATENT GMBH (DE) | 1994-02-09 | — | — | CN | disclosed |
| CN-1039797-A | difluoromethyl compound | MERCK PATENT GMBH (DE) | 1990-02-21 | — | — | CN | 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-20030004357-A1 | Reaction of carbonyl compounds with organometallic reagents | CBR3, ME3, GLRX3 | MAPT 725/4885NPSR1 3833/4885AKR1B1 865/4885 |
“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.