Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 6/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 6/20 | 0.38 |
| ▸ | CA7 | P43166 | 6/20 | 0.38 |
| ▸ | CA9 | Q16790 | 6/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL162928 | 0.82 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTCA12CA1 | |
| SCHEMBL286492 | 0.79 | DAGLA (0.43) | ALDH1A1MAPTNPC1RAB9AKDM4E | |
| SCHEMBL20462601 | 0.78 | ALDH1A1 (0.40) | ALDH1A1LMNAMAPTCA12CA1 | |
| SCHEMBL2070169 | 0.76 | CYP1A2 (0.55) | ALDH1A1MAPTMEN1NPC1RAB9A | |
| SCHEMBL13631425 | 0.75 | NPC1 (0.43) | ALDH1A1MAPTMEN1NPC1RAB9A | |
| SCHEMBL222642 | 0.72 | — | — | |
| SCHEMBL5270512 | 0.72 | — | — | |
| SCHEMBL20267830 | 0.72 | ALDH1A1 (0.43) | ALDH1A1LMNAMAPTCA12CA1 | |
| SCHEMBL303734 | 0.71 | — | — | |
| SCHEMBL540154 | 0.71 | — | — |
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-2016177686-A1 | PYRIDAZINE DERIVATIVES AS RORc MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-11-10 | — | — | WO | disclosed |