Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA6 | P23280 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.30 |
| ▸ | MTOR | P42345 | 3/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9434621 | 0.93 | RARB (0.36) | NPC1RAB9ASMN1; SMN2HSD17B10CA12 | |
| SCHEMBL9434234 | 0.92 | RARB (0.40) | NPC1RAB9ASMN1; SMN2HSD17B10CA12 | |
| SCHEMBL8767583 | 0.89 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2HSD17B10TP53 | |
| SCHEMBL9433719 | 0.86 | SMN1; SMN2 (0.48) | NPC1RAB9ASMN1; SMN2HSD17B10TP53 | |
| SCHEMBL9434150 | 0.86 | KDM4C (0.35) | NPC1RAB9ASMN1; SMN2HSD17B10KDM4C | |
| SCHEMBL9434002 | 0.83 | RARB (0.34) | NPC1RAB9ASMN1; SMN2HSD17B10TP53 | |
| SCHEMBL8766253 | 0.82 | RARB (0.38) | NPC1RAB9ASMN1; SMN2HSD17B10TP53 | |
| SCHEMBL9029824 | 0.82 | RAB9A (0.45) | NPC1RAB9ASMN1; SMN2HSD17B10TP53 | |
| SCHEMBL8766819 | 0.81 | RARB (0.43) | NPC1RAB9ASMN1; SMN2HSD17B10TP53 | |
| SCHEMBL9433261 | 0.80 | RAB9A (0.47) | NPC1RAB9ASMN1; SMN2HSD17B10TP53 |
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-5372746-A | Fluoro-substituted tolane compounds and liquid crystalline mixtures containing same | HOFFMANN-LA ROCHE INC. (US) | 1994-12-13 | — | — | US | disclosed |