Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9300329 | 0.90 | ACACB (0.39) | MAPTKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8962894 | 0.87 | KDR (0.36) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL8962664 | 0.86 | HDAC1 (0.32) | NQO1KMT2ACACNA2D1 | |
| SCHEMBL8962673 | 0.86 | HDAC1 (0.32) | NQO1KMT2ACACNA2D1 | |
| SCHEMBL8962700 | 0.85 | NQO1 (0.39) | XDHMAPTKDM4ENPC1RAB9A | |
| SCHEMBL8962695 | 0.85 | NQO1 (0.39) | XDHMAPTKDM4ENPC1RAB9A | |
| SCHEMBL8962929 | 0.84 | EP300 (0.34) | NPC1RAB9ATP53 | |
| SCHEMBL8962996 | 0.82 | LRRK2 (0.36) | MAPTKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8962887 | 0.82 | NISCH (0.33) | MAPTKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9300971 | 0.81 | MAP4K1 (0.32) | — |
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 4 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 |
| EP-0559860-A1 | HALOVINYL-DERIVATIVES. | HOFFMANN LA ROCHE (CH) | 1993-09-15 | — | — | EP | disclosed |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |