Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 3/20 | 0.56 |
| ▸ | HPGDS | O60760 | 2/20 | 0.55 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16495438 | 0.91 | MEN1 (0.59) | ATRHPGDSMEN1KMT2AEPHX2 | |
| SCHEMBL16495852 | 0.90 | MEN1 (0.60) | ATRHPGDSMEN1KMT2AEPHX2 | |
| SCHEMBL16496105 | 0.85 | ADRA2A (0.61) | ATRHPGDSCACNA1GCYP1A2CYP2D6 | |
| SCHEMBL16496375 | 0.84 | HPGDS (0.61) | HPGDSSLC6A2SLC6A4HPGDCD274 | |
| SCHEMBL16496153 | 0.84 | ADRA2A (0.60) | ATRHPGDSCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16495622 | 0.82 | MCHR1 (0.58) | HPGDSCD274 | |
| SCHEMBL12592280 | 0.81 | SMYD2 (0.54) | ATRCACNA1GMEN1KMT2ASLC6A2 | |
| SCHEMBL16496406 | 0.81 | HPGDS (0.72) | HPGDSKMT2AEPHX2CYP1A2CYP2D6 | |
| SCHEMBL1758383 | 0.80 | SCN9A (0.69) | ATRCACNA1GCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7229518 | 0.80 | CD274 (0.53) | ATRCACNA1GMEN1KMT2AEPHX2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7943643-B2 | Aryl substituted pyridines and the use thereof | PURDUE PHARMA L.P. (US) | 2011-05-17 | — | — | US | disclosed |
| US-20100048626-A1 | Aryl Substituted Pyridines and the Use Thereof | PURDUE PHARMA L.P. | 2010-02-25 | — | — | US | disclosed |
| US-7579367-B2 | Aryl substituted pyridines and the use thereof | PURDUE PHARMA L.P. (US) | 2009-08-25 | — | — | US | disclosed |
| US-20080194627-A9 | Aryl substituted pyridines and the use thereof | EURO-CELTIQUE S.A. (LU) | 2008-08-14 | — | — | US | disclosed |
| US-20070010554-A1 | Aryl substituted pyridines and the use thereof | EURO-CELTIQUE S.A. (LU) | 2007-01-11 | — | — | 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-20080194627-A9 | Aryl substituted pyridines and the use thereof | CACNA1S, CACNA1E, CACNA1C | ATR 2345/4885HPGDS 3962/4885CACNA1G 15/4885 |
| US-20100048626-A1 | Aryl Substituted Pyridines and the Use Thereof | CACNA1S, CACNA1E, CACNA1C | ATR 2431/4885HPGDS 4009/4885CACNA1G 21/4885 |
| US-20070010554-A1 | Aryl substituted pyridines and the use thereof | CACNA1S, CACNA1E, CACNA1C | ATR 2345/4885HPGDS 3962/4885CACNA1G 15/4885 |
“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.