Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 6/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | KLK1 | P06870 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CHKA | P35790 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29317449 | 0.91 | ABCB1 (0.36) | NPC1ABCB1ABCC1ABCG2DHFR | |
| SCHEMBL29314565 | 0.87 | MET (0.34) | NPC1ABCB1ABCC1ABCG2DHFR | |
| SCHEMBL22109644 | 0.82 | ABCB1 (0.36) | NPC1ABCB1ABCC1ABCG2DHFR | |
| SCHEMBL21167441 | 0.82 | PIK3CA (0.41) | NPC1ABCB1ABCC1ABCG2PDE10A | |
| SCHEMBL29314519 | 0.81 | ABCB1 (0.33) | ABCB1ABCC1ABCG2METKLKB1 | |
| SCHEMBL24591103 | 0.80 | GRM5 (0.36) | NPC1ABCB1ABCC1ABCG2MET | |
| SCHEMBL29314533 | 0.79 | ALOX5 (0.39) | NPC1DHFRHDAC6KLKB1KLK1 | |
| SCHEMBL22475725 | 0.78 | KDR (0.41) | DHFRMETKLKB1KLK1HDAC3 | |
| SCHEMBL22475860 | 0.78 | RECQL (0.35) | ABCB1ABCC1ABCG2DHFRMET | |
| SCHEMBL24591153 | 0.78 | GSK3A (0.39) | NPC1METKLKB1KLK1PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3893872-B1 | ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF | BETA PHARMA INC (US) | 2024-07-17 | — | — | EP | disclosed |