Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22834911 | 0.85 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17732604 | 0.83 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14866316 | 0.82 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29425147 | 0.81 | GAA (0.42) | ALDH1A1MAPTL3MBTL1KDM4ENPSR1 | |
| SCHEMBL2217864 | 0.81 | GAA (0.42) | ALDH1A1MAPTL3MBTL1KDM4ENPSR1 | |
| Hydrochloric Acid SCHEMBL31418668 | 0.80 | GAA (0.41) | ALDH1A1MAPTL3MBTL1KDM4ENPSR1 | |
| SCHEMBL3652925 | 0.79 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3652621 | 0.79 | BAZ2B (0.51) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL17816469 | 0.78 | MAPT (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24501082 | 0.77 | ATR (0.39) | CA12CA1CA2CA9POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2195311-A1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009024905-A1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-26 | — | — | WO | disclosed |