Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL8963161 | 1.00 | NPC1 (0.35) | NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL8962695 | 0.87 | NQO1 (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL8962700 | 0.87 | NQO1 (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL8962983 | 0.85 | NQO1 (0.42) | RAB9AMAPTKMT2A | |
| SCHEMBL8962980 | 0.85 | NQO1 (0.42) | RAB9AMAPTKMT2A | |
| SCHEMBL8963401 | 0.82 | NQO1 (0.39) | NPC1RAB9AMAPTKMT2A | |
| SCHEMBL8962673 | 0.80 | HDAC1 (0.32) | KMT2A | |
| SCHEMBL8962664 | 0.80 | HDAC1 (0.32) | KMT2A | |
| SCHEMBL8963198 | 0.80 | CYP2C9 (0.37) | RAB9AALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9450823 | 0.80 | RAB9A (0.41) | RAB9AALDH1A1MAPTMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |