Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10995247 | 1.00 | CYP1A2 (0.47) | CYP1A2TP53CYP3A4CYP2D6PKM | |
| SCHEMBL11348952 | 0.95 | CYP1A2 (0.43) | CYP1A2TP53CYP3A4CYP2D6PKM | |
| SCHEMBL10991729 | 0.85 | NOS2 (0.45) | CYP1A2TP53CYP3A4CYP2D6PKM | |
| SCHEMBL10991725 | 0.85 | NOS2 (0.45) | CYP1A2TP53CYP3A4CYP2D6PKM | |
| SCHEMBL7077101 | 0.83 | CYP1A2 (0.58) | CYP1A2TP53CYP3A4CYP2D6PKM | |
| SCHEMBL7077102 | 0.83 | CYP1A2 (0.58) | CYP1A2TP53CYP3A4CYP2D6PKM | |
| SCHEMBL10995524 | 0.82 | ALDH1A1 (0.51) | CYP1A2TP53CYP3A4CYP2D6PKM | |
| SCHEMBL10995520 | 0.82 | ALDH1A1 (0.51) | CYP1A2TP53CYP3A4CYP2D6PKM | |
| SCHEMBL10759095 | 0.81 | NOS2 (0.46) | TP53CYP3A4CYP2D6PKMTSHR | |
| SCHEMBL28347012 | 0.74 | CYP1A2 (0.75) | CYP1A2TP53CYP3A4MAPK1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4549022-A | ANTIBACTERIAL AGENT; STIMULANT ON CENTRAL NERVOUS SYSTEM | HOFFMANN-LA ROCHE INC. (US) | 1985-10-22 | — | — | US | disclosed |
| US-4521535-A | ANTIBACTERIAL AGENTS; STIMULANTS FOR CENTRAL NERVOUS SYSTEM | HOFFMANN-LA ROCHE INC. (US) | 1985-06-04 | — | — | US | disclosed |