Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 9/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10104348 | 0.79 | SLC6A3 (0.51) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL19006935 | 0.77 | NOS1 (0.41) | NOS1NOS2NOS3 | |
| SCHEMBL10104262 | 0.76 | NOS1 (0.45) | MCHR1NOS1SLC6A3CHRM2ADRA2A | |
| SCHEMBL10104354 | 0.74 | MCHR1 (0.40) | MCHR1NOS1SLC6A3HTR2CSLC6A4 | |
| SCHEMBL816347 | 0.73 | GPR3 (0.44) | GRIN2BFFAR4GPR3 | |
| SCHEMBL879205 | 0.73 | GPR3 (0.44) | GRIN2BFFAR4GPR3 | |
| SCHEMBL16951639 | 0.69 | GPR3 (0.39) | GRIN2BFFAR4GPR3 | |
| SCHEMBL13185385 | 0.67 | GRIN2B (0.44) | GRIN2BCHRM2CHRM1FFAR4GPR3 | |
| SCHEMBL22607273 | 0.67 | NOS1 (0.35) | NOS1HTR1BNOS2NOS3 | |
| SCHEMBL10104293 | 0.67 | NOS1 (0.44) | NOS1SLC6A3CHRM2ADRA2ACHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8889665-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-18 | — | — | US | disclosed |
| US-8778929-B2 | Substituted heteroaryl inhibitors of B-RAF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-15 | — | — | US | disclosed |
| US-8653087-B2 | Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-18 | — | — | US | disclosed |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-19 | — | — | US | disclosed |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| US-20110183952-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-28 | — | — | 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 (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-20110183952-A1 | NEW CHEMICAL COMPOUNDS | MKI67, CCNA1, CCNT1 | MCHR1 686/4885GRIN2B 3721/4885NOS1 127/4885 |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | CCNA1, CCNT1, MKI67 | MCHR1 1015/4885GRIN2B 3615/4885NOS1 676/4885 |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | CCNT1, CCNA1, CCND1 | MCHR1 3560/4885GRIN2B 4080/4885NOS1 2364/4885 |
“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.