Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13933139 | 0.85 | CYP1A2 (0.62) | CYP1A2ALDH1A1SMN1; SMN2POLBMEN1 | |
| SCHEMBL1424972 | 0.81 | KDM4E (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL1425461 | 0.80 | KDM4E (0.47) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL1179292 | 0.77 | CYP1A2 (0.65) | CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1 | |
| SCHEMBL4192112 | 0.76 | CYP1A2 (0.62) | CYP1A2ALDH1A1SMN1; SMN2ATMMAPT | |
| SCHEMBL1179201 | 0.75 | ALDH1A1 (0.44) | CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL19306385 | 0.74 | CYP1A2 (0.61) | CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1 | |
| SCHEMBL1179778 | 0.74 | CYP1A2 (0.61) | CYP1A2ALDH1A1SMN1; SMN2POLBMEN1 | |
| SCHEMBL4043097 | 0.74 | ALDH1A1 (0.44) | CYP1A2ALDH1A1SMN1; SMN2POLBMAPK1 | |
| SCHEMBL5489657 | 0.73 | CYP1A2 (0.59) | CYP1A2ALDH1A1SMN1; SMN2MAPTTSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8598208-B2 | Pyridine derivatives as S1P1/EDG1 receptor modulators | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-12-03 | — | — | US | disclosed |
| US-20110212998-A1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-09-01 | — | — | US | disclosed |
| EP-2195311-B1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-03-23 | — | — | EP | disclosed |
| US-20110046170-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-02-24 | — | — | US | disclosed |
| CN-101965346-A | Novel pyrimidine-pyridine derivatives | ACTELION PHARMACEUTICALS LTD | 2011-02-02 | — | — | CN | disclosed |
| EP-2262800-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2010-12-22 | — | — | EP | disclosed |
| EP-2195311-A1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009109907-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-09-11 | — | — | WO | disclosed |
| WO-2009024905-A1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-26 | — | — | WO | 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-20110046170-A1 | NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES | TYMP, DPYD, ENTPD5 | CYP1A2 2635/4885ALDH1A1 1658/4885SMN1; SMN2 4245/4885 |
| US-20110212998-A1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | S1PR1, S1PR3, S1PR2 | CYP1A2 2179/4885ALDH1A1 1720/4885SMN1; SMN2 4024/4885 |
“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.