Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ECE1 | P42892 | 1/20 | 0.49 |
| ▸ | HPGDS | O60760 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | PLA2G10 | O15496 | 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28137962 | 0.92 | KDM4E (0.55) | KDM4EHDAC3HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6786585 | 0.84 | ALDH1A1 (0.63) | KDM4EHDAC1HDAC6ALDH1A1HPGDS | |
| SCHEMBL31122242 | 0.84 | HTR2B (0.51) | KDM4EHDAC3HDAC1HDAC6ECE1 | |
| Pyridine SCHEMBL28372121 | 0.80 | HTR2B (0.48) | KDM4EHDAC3HDAC1HDAC6ECE1 | |
| SCHEMBL1995375 | 0.78 | HPGDS (0.59) | KDM4EALDH1A1HPGDSACHEL3MBTL1 | |
| SCHEMBL13174880 | 0.77 | RAB9A (0.64) | HDAC3HDAC1HDAC6ALDH1A1 | |
| SCHEMBL30311971 | 0.75 | CDK5 (0.43) | HDAC3HDAC1HDAC6ECE1L3MBTL1 | |
| Isothiazole SCHEMBL28506891 | 0.75 | HTR2B (0.46) | KDM4EHDAC3HDAC1HDAC6ECE1 | |
| SCHEMBL20764594 | 0.74 | KDM4E (0.57) | KDM4EHDAC1HDAC6ALDH1A1HPGDS | |
| SCHEMBL657641 | 0.73 | ALDH1A1 (0.70) | KDM4EHDAC1HDAC6ALDH1A1HPGDS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012068209-A2 | BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-24 | — | — | WO | disclosed |