Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | S100A4 | P26447 | 2/20 | 0.59 |
| ▸ | CASP6 | P55212 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.50 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.47 |
| ▸ | COMT | P21964 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7118487 | 0.87 | CYP3A4 (0.69) | CYP3A4S100A4CASP6TSHRCDK2 | |
| SCHEMBL17233510 | 0.86 | CYP3A4 (0.53) | CYP3A4S100A4CASP6TSHRCDK2 | |
| SCHEMBL10701310 | 0.83 | CYP3A4 (0.62) | CYP3A4S100A4CASP6TSHRCDK2 | |
| SCHEMBL57759 | 0.81 | CYP3A4 (1.00) | CYP3A4S100A4CASP6TSHRESR1 | |
| SCHEMBL29450703 | 0.81 | CYP3A4 (1.00) | CYP3A4S100A4CASP6TSHRESR1 | |
| SCHEMBL9558553 | 0.80 | CYP3A4 (0.59) | CYP3A4S100A4CASP6TSHRCDK2 | |
| SCHEMBL7915408 | 0.79 | CYP3A4 (0.68) | CYP3A4S100A4CASP6TSHRCDK2 | |
| SCHEMBL6339917 | 0.79 | S100A4 (0.58) | CYP3A4S100A4TSHRCOMTESR1 | |
| SCHEMBL6340090 | 0.79 | MEN1 (0.50) | CYP3A4S100A4CDK2COMTESR1 | |
| SCHEMBL6340091 | 0.79 | MEN1 (0.50) | CYP3A4S100A4CDK2COMTESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3066107-A1 | CHROMOGENIC SUBSTRATES FOR BETA-D-GLUCURONIDASE ACTIVITY AND USE THEREOF FOR MICROBIAL DETECTION | Glycosynth Limited (GB) | 2016-09-14 | — | — | EP | disclosed |
| WO-2015067926-A1 | CHROMOGENIC SUBSTRATES FOR BETA-D-GLUCURONIDASE ACTIVITY AND USE THEREOF FOR MICROBIAL DETECTION | GLYCOSYNTH LIMITED (GB) | 2015-05-14 | — | — | WO | disclosed |
| US-6903114-B2 | Derivatives of naphthalene with COMT inhibiting activity | ORION CORPORATION (FI) | 2005-06-07 | — | — | US | disclosed |
| US-20040034011-A1 | Derivatives of naphthalene with comt inhibiting activity | ORION CORPORATION (FI) | 2004-02-19 | — | — | US | disclosed |
| EP-1317411-A1 | DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY | ORION CORPORATION (FI) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002022551-A1 | DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY | ORION CORPORATION (FI) | 2002-03-21 | — | — | 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-20040034011-A1 | Derivatives of naphthalene with comt inhibiting activity | COMT, CYP1A1, CYP1B1 | CYP3A4 33/4885S100A4 4776/4885CASP6 3992/4885 |
“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.