Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 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 | 0.98 | ALDH1A1 (0.47) | ALDH1A1TSHRMEN1KMT2ACACNA1B | |
| SCHEMBL10104440 | 0.86 | CYP2A13 (0.47) | KDM4ECYP3A4POLBHTTCYP2D6 | |
| SCHEMBL12401768 | 0.86 | CACNA1B (0.45) | ALDH1A1TSHRMEN1KMT2ACACNA1B | |
| SCHEMBL10104476 | 0.85 | MEN1 (0.46) | ALDH1A1TSHRMEN1KMT2ACACNA1B | |
| SCHEMBL5118355 | 0.84 | CACNA1B (0.43) | ALDH1A1TSHRMEN1KMT2ACACNA1B | |
| SCHEMBL13130588 | 0.82 | MAPK1 (0.43) | ALDH1A1TSHRMEN1KMT2ACACNA1B | |
| SCHEMBL5118350 | 0.79 | POLB (0.42) | ALDH1A1TSHRMEN1KMT2ACACNA1B | |
| SCHEMBL10104483 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TSHRMEN1KMT2ACACNA1B | |
| SCHEMBL10104485 | 0.76 | MAOA (0.44) | ALDH1A1TSHRMEN1KMT2AKDM4E | |
| SCHEMBL12724826 | 0.75 | CACNA1B (0.55) | ALDH1A1TSHRCACNA1BKDM4ECYP3A4 |
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 | ALDH1A1 175/4885TSHR 1287/4885MEN1 254/4885 |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | CCNT1, CCNA1, CCND1 | ALDH1A1 860/4885TSHR 865/4885MEN1 1575/4885 |
“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.