Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL14559239 | 0.86 | SLC6A4 (0.42) | ALOX5SLC6A4DRD2SLC6A3SLC6A2 | |
| SCHEMBL12877912 | 0.74 | GSK3B (0.43) | ALOX5SLC6A4DRD2SLC6A3SLC6A2 | |
| SCHEMBL28359596 | 0.72 | SLC6A4 (0.61) | ALOX5SLC6A4DRD2SLC6A3SLC6A2 | |
| SCHEMBL31172103 | 0.72 | SLC6A4 (0.61) | ALOX5SLC6A4DRD2SLC6A3SLC6A2 | |
| SCHEMBL28526550 | 0.72 | SLC6A4 (0.43) | ALOX5SLC6A4DRD2SLC6A3SLC6A2 | |
| SCHEMBL4147085 | 0.71 | SLC6A4 (0.52) | ALOX5SLC6A4DRD2SLC6A3SLC6A2 | |
| SCHEMBL7993434 | 0.71 | HTR2A (0.40) | ALOX5SLC6A4DRD2SLC6A3SLC6A2 | |
| SCHEMBL7865136 | 0.71 | SLC6A4 (0.43) | ALOX5SLC6A4DRD2SLC6A3SLC6A2 | |
| SCHEMBL10571544 | 0.70 | SLC6A4 (0.42) | ALOX5SLC6A4DRD2SLC6A3SLC6A2 | |
| Hydrochloric Acid SCHEMBL8688971 | 0.70 | HTR2A (0.42) | ALOX5SLC6A4DRD2SLC6A3SLC6A2 |
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-2004089362-A1 | 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS | NOVO NORDISK A/S (DK) | 2004-10-21 | — | — | WO | disclosed |