Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.50 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 2/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | IGF1R | P08069 | 2/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14924035 | 0.86 | CYP2D6 (0.52) | CYP2D6SMN1; SMN2MC4RCHRM2CHRM1 | |
| SCHEMBL14924473 | 0.84 | ALDH1A1 (0.53) | CYP2D6MC4RMEN1KMT2ACHRM2 | |
| SCHEMBL18403967 | 0.84 | ALDH1A1 (0.53) | CYP2D6MC4RMEN1KMT2ACHRM2 | |
| SCHEMBL18403964 | 0.83 | GAA (0.54) | CYP2D6L3MBTL1SMN1; SMN2MC4RMEN1 | |
| SCHEMBL19251271 | 0.83 | CYP2D6 (0.48) | CYP2D6L3MBTL1MC4RCHRM2CHRM1 | |
| SCHEMBL20012737 | 0.82 | CYP2D6 (0.74) | CYP2D6L3MBTL1MC4RMEN1KMT2A | |
| SCHEMBL14600336 | 0.82 | CYP2D6 (0.74) | CYP2D6L3MBTL1MC4RMEN1KMT2A | |
| SCHEMBL26199247 | 0.80 | MC4R (0.67) | CYP2D6CYP2C19DUSP3PTPN5PTPN11 | |
| SCHEMBL28327890 | 0.80 | MC4R (0.67) | CYP2D6CYP2C19DUSP3PTPN5PTPN11 | |
| SCHEMBL30206300 | 0.80 | MC4R (0.67) | CYP2D6CYP2C19DUSP3PTPN5PTPN11 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541572-B2 | Compounds for the treatment of inflammatory disorders | MERCK SHARP & DOHME CORP. (US) | 2013-09-24 | — | — | US | disclosed |
| US-8541572-B2 | Compounds for the treatment of inflammatory disorders | MERCK SHARP & DOHME CORP. (US) | 2013-09-24 | — | — | US | disclosed |
| US-20120010181-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | MERCK SHARP & DOHME CORP. | 2012-01-12 | — | — | US | disclosed |
| US-20120010181-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | MERCK SHARP & DOHME CORP. | 2012-01-12 | — | — | US | disclosed |
| WO-2010054279-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | SCHERING CORPORATION (US) | 2010-05-14 | — | — | 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-20120010181-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | TNF, ADAMTS1, ADAMTS7 | CYP2D6 908/4885CYP1A2 1067/4885CYP3A4 1989/4885 |
“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.