Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9759853 | 0.96 | NAAA (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL9758005 | 0.90 | TLR4 (0.40) | CYP2C9KMT2ANAAAMAPT | |
| SCHEMBL9757828 | 0.87 | TP53 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL9757935 | 0.86 | PKM (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL9758891 | 0.86 | PKM (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL9758550 | 0.86 | NAAA (0.37) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL9759152 | 0.85 | NAAA (0.38) | TP53PKMHTTMEN1KMT2A | |
| SCHEMBL9759387 | 0.85 | NAAA (0.38) | TP53PKMHTTMEN1KMT2A | |
| SCHEMBL9758508 | 0.84 | CYP4F2 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL8069418 | 0.84 | TP53 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 |
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-4985583-A | Liquid Crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-15 | — | — | US | disclosed |