Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIKFYVE | Q9Y2I7 | 2/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | PTGES | O14684 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL674727 | 0.94 | PIKFYVE (0.41) | PIKFYVEHAO1MAPTNPC1RAB9A | |
| SCHEMBL676917 | 0.87 | KDM4E (0.44) | MAPTCYP1A2KDM4EGMNNLMNA | |
| SCHEMBL676121 | 0.76 | PIKFYVE (0.43) | PIKFYVEMAPTNPC1RAB9ACYP1A2 | |
| SCHEMBL675083 | 0.73 | ALK (0.45) | PIKFYVEMAPTNPC1RAB9ACYP1A2 | |
| SCHEMBL675871 | 0.72 | NPC1 (0.43) | PIKFYVEMAPTNPC1RAB9ACYP1A2 | |
| SCHEMBL11225320 | 0.69 | CYP1A2 (0.55) | HAO1MAPTNPC1RAB9APTGES | |
| SCHEMBL8752132 | 0.69 | CYP1A2 (0.55) | HAO1MAPTNPC1RAB9APTGES | |
| SCHEMBL676829 | 0.69 | CHRNB2 (0.36) | PIKFYVEHAO1MAPTNPC1RAB9A | |
| SCHEMBL675919 | 0.68 | KDM4E (0.54) | NPC1PTGESCYP1A2KDM4EGMNN | |
| SCHEMBL11232546 | 0.68 | FFAR1 (0.53) | HAO1MAPTNPC1RAB9APTGES |
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-2010025872-A2 | ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2010-03-11 | — | — | WO | disclosed |