Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5369292 | 0.87 | TDP1 (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Bicarbonate SCHEMBL30077198 | 0.83 | CYP2C9 (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Trifluoroacetic Acid SCHEMBL22157844 | 0.83 | CHRM2 (0.36) | HTR5ACHRM2CHRM4CHRM5CHRM1 | |
| Acetic Acid SCHEMBL3578727 | 0.80 | FFAR3 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL29175008 | 0.80 | FFAR3 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL7124420 | 0.80 | FFAR3 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Carbamic Acid SCHEMBL5488417 | 0.80 | ACHE (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Oxalic Acid SCHEMBL5863149 | 0.80 | CYP2C9 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Trifluoroacetic Acid SCHEMBL31657045 | 0.79 | ALDH1A1 (0.52) | APAF1RAD52CASP7CASP6CASP8 | |
| Trifluoroacetic Acid SCHEMBL1131532 | 0.79 | MAPT (0.57) | HTR5ACHRM2CHRM4CHRM5CHRM1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7132419-B2 | Pharmaceutical compounds | XENOVA LIMITED (GB) | 2006-11-07 | — | — | US | claimed |
| CN-1606439-A | Cis-imidazolines | HOFFMANN LA ROCHE (CH) | 2005-04-13 | — | — | CN | claimed |
| US-7713994-B2 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof | WYETH LLC (US) | 2010-05-11 | — | — | US | disclosed |
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| US-7402595-B2 | Enzyme inhibitors with isoquinolinone structures | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-22 | — | — | US | disclosed |
| US-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | WYETH (US) | 2008-04-10 | — | — | US | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |
| EP-1799699-A1 | ANALOGS OF 17-HYDROXYWORTMANNIN AS PI3K INHIBITORS | Wyeth (US) | 2007-06-27 | — | — | EP | disclosed |
| US-7217723-B2 | Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. | EISAI CO., LTD. (JP) | 2007-05-15 | — | — | US | disclosed |
| WO-2006044453-A1 | ANALOGS OF 17-HYDROXYWORTMANNIN AS PI3K INHIBITORS | WYETH (US) | 2006-04-27 | — | — | WO | disclosed |
| US-20050227959-A1 | Heterocyclic compound having oxime group | EISAI CO., LTD. (JP) | 2005-10-13 | — | — | US | disclosed |
| US-20050148624-A1 | Jnk inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-07-07 | — | — | US | disclosed |
| CN-1606439-A | Cis-imidazolines | HOFFMANN LA ROCHE (CH) | 2005-04-13 | — | — | CN | disclosed |
| EP-1484320-A1 | JNK INHIBITOR | Takeda Chemical Industries, Ltd. (JP) | 2004-12-08 | — | — | EP | 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-20050148624-A1 | Jnk inhibitor | MAPK3, MAPKAPK3, MAPK1 | HTR5A 3780/4885CHRM2 3078/4885CHRM4 2340/4885 |
| US-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | SULT1E1, RECQL, HAX1 | HTR5A 1837/4885CHRM2 1898/4885CHRM4 3103/4885 |
| US-20050227959-A1 | Heterocyclic compound having oxime group | STAT6, HRH4, HRH2 | HTR5A 2452/4885CHRM2 31/4885CHRM4 83/4885 |
“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.