Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.41 |
| ▸ | HTR3B | O95264 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | STAT1 | P42224 | 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 | |
|---|---|---|---|---|
| SCHEMBL8629250 | 0.92 | — | — | |
| SCHEMBL12583761 | 0.86 | ALDH1A1 (0.32) | TDP1ESR2ALDH1A1 | |
| SCHEMBL15810303 | 0.84 | NPC1 (0.50) | ACHETDP1HTR3EHTR3BHTR3A | |
| SCHEMBL18661495 | 0.76 | ACHE (0.73) | ACHETDP1CYP2D6CYP2C9ENPP3 | |
| SCHEMBL3287696 | 0.76 | ACHE (0.73) | ACHETDP1CYP2D6CYP2C9ENPP3 | |
| SCHEMBL197731 | 0.76 | ACHE (0.73) | ACHETDP1CYP2D6CYP2C9ENPP3 | |
| SCHEMBL5988861 | 0.76 | ALDH1A1 (0.50) | TDP1SMN1; SMN2MAPTMAPK1KIF11 | |
| Fluorobenzene SCHEMBL28981164 | 0.75 | ACHE (0.48) | ACHETDP1HTR3EHTR3BHTR3A | |
| Bromobenzene SCHEMBL28162391 | 0.75 | ALDH1A1 (0.48) | ACHETDP1HTR3EHTR3BHTR3A | |
| SCHEMBL1100158 | 0.74 | TDP1 (0.58) | TDP1NPC1RAB9ASMN1; SMN2MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070001149-A1 | Liquid-crystal medium containing monofluoroterphenyl compounds | MERCK PATENT GMBH (DE) | 2007-01-04 | — | — | US | disclosed |