Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 9/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 7/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774168 | 0.93 | NPC1 (0.42) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL8774684 | 0.91 | RARB (0.43) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL8774371 | 0.90 | RARB (0.48) | NPC1TP53RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL8774991 | 0.89 | RARB (0.50) | NPC1TP53RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL8774727 | 0.89 | RARB (0.50) | NPC1TP53RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL8774259 | 0.88 | FEN1 (0.40) | NPC1RAB9ASMN1; SMN2FEN1ALOX5AP | |
| SCHEMBL8774482 | 0.85 | RARB (0.46) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL8774382 | 0.84 | RARB (0.51) | NPC1RAB9ASMN1; SMN2HSD17B10RARB | |
| SCHEMBL9398841 | 0.83 | NPC1 (0.43) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL8775052 | 0.83 | RAB9A (0.48) | NPC1TP53PKMRAB9ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |