Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8962700 | 1.00 | NQO1 (0.39) | NQO1XDHGRM2DGAT1RAB9A | |
| SCHEMBL8962983 | 0.96 | NQO1 (0.42) | NQO1RAB9AMAOAMAOBMAPT | |
| SCHEMBL8962980 | 0.96 | NQO1 (0.42) | NQO1RAB9AMAOAMAOBMAPT | |
| SCHEMBL8963401 | 0.92 | NQO1 (0.39) | NQO1RAB9ANPC1MAOAMAOB | |
| SCHEMBL9450823 | 0.89 | RAB9A (0.41) | NQO1RAB9AALDH1A1MAOAMAOB | |
| SCHEMBL8963198 | 0.89 | CYP2C9 (0.37) | NQO1DGAT1RAB9AALDH1A1MAOA | |
| SCHEMBL8962630 | 0.89 | RAB9A (0.41) | RAB9ANPC1ALDH1A1MAOAMAOB | |
| SCHEMBL8962634 | 0.89 | RAB9A (0.41) | RAB9ANPC1ALDH1A1MAOAMAOB | |
| SCHEMBL8963193 | 0.89 | CYP2C9 (0.37) | NQO1DGAT1RAB9AALDH1A1MAOA | |
| SCHEMBL8963155 | 0.87 | NPC1 (0.35) | XDHRAB9ANPC1ALDH1A1TP53 |
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-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 |