Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 1/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963076 | 0.95 | SLC18A3 (0.40) | HTR3ASLC18A3DRD2HDAC2SLC6A3 | |
| SCHEMBL8963054 | 0.95 | SLC18A3 (0.40) | HTR3ASLC18A3DRD2HDAC2SLC6A3 | |
| SCHEMBL8963069 | 0.95 | SLC18A3 (0.40) | HTR3ASLC18A3DRD2HDAC2SLC6A3 | |
| SCHEMBL8963014 | 0.92 | HDAC2 (0.45) | SLC18A3HDAC2CYP2C9 | |
| SCHEMBL8963019 | 0.92 | HDAC2 (0.45) | SLC18A3HDAC2CYP2C9 | |
| SCHEMBL8963034 | 0.92 | DRD2 (0.43) | HTR3ASLC18A3DRD2HDAC2SLC6A3 | |
| SCHEMBL8963140 | 0.90 | ESR2 (0.41) | HTR3ASLC18A3DRD2HDAC2SLC6A3 | |
| SCHEMBL8963133 | 0.90 | ESR2 (0.41) | HTR3ASLC18A3DRD2HDAC2SLC6A3 | |
| SCHEMBL9540801 | 0.87 | DRD2 (0.40) | HTR3ASLC18A3DRD2HDAC2TP53 | |
| SCHEMBL9300179 | 0.83 | HDAC2 (0.43) | HDAC2CYP2C9 |
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 |