Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 2/20 | 0.35 |
| ▸ | SMARCA2 | P51531 | 2/20 | 0.35 |
| ▸ | SMARCA4 | P51532 | 2/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 1/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.32 |
| ▸ | CHUK | O15111 | 2/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9899369 | 0.84 | NR1I2 (0.38) | NR1I2SMARCA2SMARCA4PBRM1NR1H2 | |
| SCHEMBL9899367 | 0.84 | NR1I2 (0.38) | NR1I2SMARCA2SMARCA4PBRM1NR1H2 | |
| SCHEMBL15033783 | 0.80 | SOS1 (0.40) | NR1I2SMARCA2SMARCA4PBRM1NR1H2 | |
| SCHEMBL16181889 | 0.79 | TYMP (0.36) | NR1I2SMARCA2SMARCA4PBRM1NR1H2 | |
| SCHEMBL9899723 | 0.77 | MAPT (0.57) | CUL4ATYMPALDH1A1MAPTKDM4E | |
| SCHEMBL9899724 | 0.77 | MAPT (0.57) | CUL4ATYMPALDH1A1MAPTKDM4E | |
| SCHEMBL2938484 | 0.70 | MAP2K7 (0.42) | CUL4ACDK1TYMPSOS1SPHK2 | |
| SCHEMBL14217228 | 0.68 | GAA (0.43) | ALDH1A1MAPTGAAHTT | |
| SCHEMBL9899616 | 0.68 | OPRK1 (0.39) | NR1I2SMARCA2SMARCA4PBRM1NR1H2 | |
| SCHEMBL359524 | 0.68 | KDM4E (0.50) | CUL4AIRAK4CDK1TYMPSPHK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8822498-B2 | Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof | CONCERT PHARMACEUTICALS, INC. (US) | 2014-09-02 | — | — | US | disclosed |
| US-8466186-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-18 | — | — | US | disclosed |
| US-20120309738-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-06 | — | — | US | 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-20120309738-A1 | NOVEL COMPOUNDS | PTGER1, PTGS1, PTGES | NR1I2 88/4885SMARCA2 3521/4885SMARCA4 3585/4885 |
“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.