Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | ERCC1 | P07992 | 4/20 | 0.57 |
| ▸ | ERCC4 | Q92889 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12366162 | 0.85 | P2RX7 (0.54) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL7241336 | 0.83 | ALDH1A1 (0.62) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL12366141 | 0.81 | NPC1 (0.62) | ALDH1A1NPC1RAB9ALMNAMAPK1 | |
| SCHEMBL1143282 | 0.81 | ALDH1A1 (0.64) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL17914676 | 0.80 | ALDH1A1 (0.62) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL1143378 | 0.80 | ALDH1A1 (0.62) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL12354898 | 0.78 | ALDH1A1 (0.74) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL17372538 | 0.78 | ALDH1A1 (0.61) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL12366142 | 0.78 | KMT2A (0.59) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL1143386 | 0.77 | ALDH1A1 (0.59) | ALDH1A1ERCC1ERCC4NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-7998986-B2 | Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors | EXELIXIS PATENT COMPANY LLC (US) | 2011-08-16 | — | — | US | disclosed |