Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 2/20 | 0.37 |
| ▸ | RARA | P10276 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774829 | 0.95 | RAB9A (0.36) | NPC1RAB9ASMN1; SMN2TP53PKM | |
| SCHEMBL8774250 | 0.91 | RARB (0.44) | NPC1RAB9ASMN1; SMN2TP53HSD17B10 | |
| SCHEMBL8774513 | 0.91 | TAAR1 (0.39) | NPC1RAB9ASMN1; SMN2TP53RARB | |
| SCHEMBL8774036 | 0.90 | RARB (0.49) | RAB9ASMN1; SMN2TP53HSD17B10MAPT | |
| SCHEMBL8774498 | 0.86 | HTR2A (0.40) | NPC1RAB9ASMN1; SMN2TP53HSD17B10 | |
| SCHEMBL8775165 | 0.85 | TAAR1 (0.42) | NPC1RAB9ATP53HTTTAAR1 | |
| SCHEMBL8774925 | 0.85 | CYP2D6 (0.46) | NPC1RAB9ASMN1; SMN2PKMHSD17B10 | |
| SCHEMBL8774847 | 0.85 | ACACB (0.43) | NPC1RAB9ASMN1; SMN2TP53HSD17B10 | |
| SCHEMBL8774823 | 0.84 | HTR2A (0.46) | TP53HSD17B10RARBRARARARG | |
| SCHEMBL8774157 | 0.84 | RAB9A (0.39) | NPC1RAB9ASMN1; SMN2TP53HSD17B10 |
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 |