Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 5/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10104443 | 0.87 | ALDH1A1 (0.47) | SMN1; SMN2KDM4EPOLBCYP3A4HTT | |
| SCHEMBL5124007 | 0.86 | SMN1; SMN2 (0.40) | CYP2A13SMN1; SMN2CYP3A4CYP2D6CNR2 | |
| SCHEMBL10104438 | 0.86 | ALDH1A1 (0.49) | KDM4EPOLBCYP3A4CYP2D6HTT | |
| SCHEMBL13130492 | 0.84 | MAPT (0.45) | CYP2A13SMN1; SMN2HTT | |
| SCHEMBL14943431 | 0.84 | TP53 (0.51) | CYP2A13PKMSMN1; SMN2KDM4EPOLB | |
| SCHEMBL10030806 | 0.83 | SMN1; SMN2 (0.51) | CYP2A13PKMSMN1; SMN2KDM4EPOLB | |
| SCHEMBL5124004 | 0.81 | HCRTR1 (0.42) | SMN1; SMN2KDM4ECNR2CNR1HTT | |
| SCHEMBL2621005 | 0.78 | CYP2C9 (0.57) | CYP2A13KDM4ECYP3A4CYP2D6HTT | |
| SCHEMBL5114806 | 0.75 | ALOX5AP (0.44) | CYP2A13SMN1; SMN2KDM4EHTT | |
| SCHEMBL12809477 | 0.75 | SIGMAR1 (0.45) | PKMSMN1; SMN2KDM4EPOLBCYP3A4 |
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 | CYP2A13 370/4885PKM 1901/4885SMN1; SMN2 1280/4885 |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | CCNT1, CCNA1, CCND1 | CYP2A13 1507/4885PKM 854/4885SMN1; SMN2 521/4885 |
“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.