Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MPI | P34949 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | CD4 | P01730 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1425211 | 0.75 | KDM4E (0.38) | KDM4EALDH1A1SMN1; SMN2HSP90AA1PKM | |
| SCHEMBL27752450 | 0.72 | NOS2 (0.38) | KDM4ELMNAMAPTNOS3NOS1 | |
| SCHEMBL27752437 | 0.70 | NOS2 (0.41) | KDM4ELMNANOS3NOS1NOS2 | |
| SCHEMBL7626647 | 0.65 | BCHE (0.46) | KDM4EALDH1A1SMN1; SMN2HSP90AA1PKM | |
| SCHEMBL7542039 | 0.64 | ALDH1A1 (0.47) | KDM4EALDH1A1SMN1; SMN2HSP90AA1PKM | |
| SCHEMBL4743743 | 0.63 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HSP90AA1PKMLMNA | |
| SCHEMBL27752436 | 0.62 | NOS2 (0.41) | KDM4ELMNAMAPK1L3MBTL1NOS3 | |
| SCHEMBL12250722 | 0.61 | NOS2 (0.66) | KDM4EALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL24046615 | 0.60 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HSP90AA1PKMLMNA | |
| SCHEMBL28752323 | 0.60 | KEAP1 (0.42) | ALDH1A1GAAKEAP1NFE2L2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102648198-A | Pyridine derivatives as S1P1/EDG1 receptor modulators | ACTELION PHARMACEUTICALS LTD | 2012-08-22 | — | — | CN | disclosed |