Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.33 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.33 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL10104434 | 0.86 | CYP2C19 (0.56) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL1404655 | 0.86 | CYP2C19 (0.40) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL13130587 | 0.83 | CYP2C19 (0.38) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL1404550 | 0.80 | ALDH1A1 (0.39) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL5118633 | 0.80 | BCHE (0.39) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL10104519 | 0.74 | HTT (0.35) | KDM4EMEN1KMT2AHTTDRD1 | |
| SCHEMBL13452244 | 0.74 | DHFR (0.41) | CYP2C19CYP1A2CYP2D6CYP2C9HTR1D | |
| SCHEMBL12929955 | 0.73 | MAPT (0.43) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL19665008 | 0.72 | CYP2C19 (0.38) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL10104511 | 0.72 | CYP3A4 (0.42) | CYP2C19CYP1A2CYP2D6KDM4EMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 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-20110312939-A1 | NEW CHEMICAL COMPOUNDS | CCNA1, CCNT1, MKI67 | CYP2C19 818/4885CYP1A2 174/4885CYP2D6 554/4885 |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | CCNT1, CCNA1, CCND1 | CYP2C19 637/4885CYP1A2 604/4885CYP2D6 470/4885 |
“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.