Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | MAT2A | P31153 | 4/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963101 | 1.00 | IDO1 (0.41) | IDO1DRD1HDAC2MAT2ABACE1 | |
| SCHEMBL8962726 | 0.96 | DRD1 (0.42) | IDO1DRD1HDAC2MAT2ABACE1 | |
| SCHEMBL8962734 | 0.96 | DRD1 (0.42) | IDO1DRD1HDAC2MAT2ABACE1 | |
| SCHEMBL8963275 | 0.96 | IDO1 (0.39) | IDO1DRD1HDAC2MAT2ABACE1 | |
| SCHEMBL8963147 | 0.92 | IDO1 (0.40) | IDO1DRD1HDAC2MAT2AALDH1A1 | |
| SCHEMBL8963151 | 0.92 | IDO1 (0.40) | IDO1DRD1HDAC2MAT2AALDH1A1 | |
| SCHEMBL9543548 | 0.90 | IDO1 (0.39) | IDO1DRD1MAT2ABACE1KMT2A | |
| SCHEMBL5146469 | 0.83 | IDO1 (0.47) | IDO1DRD1MAT2AKMT2AALDH1A1 | |
| SCHEMBL8963014 | 0.82 | HDAC2 (0.45) | HDAC2NPC1RAB9APOLB | |
| SCHEMBL8963019 | 0.82 | HDAC2 (0.45) | HDAC2NPC1RAB9APOLB |
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 |