Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 6/20 | 0.67 |
| ▸ | NOS3 | P29474 | 5/20 | 0.67 |
| ▸ | NOS1 | P29475 | 5/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL15690133 | 0.85 | NOS2 (0.65) | NOS2NOS3NOS1TSHRKDM4E | |
| SCHEMBL17285894 | 0.85 | NOS2 (0.56) | NOS2NOS3NOS1TSHRKDM4E | |
| SCHEMBL12426560 | 0.81 | DDR1 (0.46) | NOS2NOS3NOS1TSHRNR1H2 | |
| SCHEMBL17182050 | 0.80 | NOS2 (0.59) | NOS2NOS3NOS1KDM4EALDH1A1 | |
| SCHEMBL13960088 | 0.79 | SLC6A4 (0.46) | NOS2NOS3NOS1HTR2AKCNH2 | |
| SCHEMBL13887902 | 0.75 | KDM4E (0.58) | NOS2NOS3NOS1TSHRKDM4E | |
| SCHEMBL7923610 | 0.74 | NR1H2 (0.72) | KDM4EALDH1A1NR1H2CYP2D6CYP2C9 | |
| SCHEMBL15381987 | 0.74 | DDR1 (0.49) | NR1H2 | |
| SCHEMBL18716730 | 0.73 | KDM4E (0.60) | NOS2NOS3NOS1TSHRKDM4E | |
| SCHEMBL17282148 | 0.73 | NOS2 (0.41) | NOS2NOS3NOS1TSHRALDH1A1 |
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 | NOS2 1534/4885NOS3 545/4885NOS1 676/4885 |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | CCNT1, CCNA1, CCND1 | NOS2 3523/4885NOS3 3139/4885NOS1 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.