Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LSS | P48449 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL10677058 | 0.98 | CYP1A2 (0.45) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10677051 | 0.98 | CYP1A2 (0.45) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10683788 | 0.96 | CYP1A2 (0.43) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10676620 | 0.96 | CYP1A2 (0.43) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10676627 | 0.96 | CYP1A2 (0.43) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10683795 | 0.96 | CYP1A2 (0.43) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL7753046 | 0.94 | CYP1A2 (0.42) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10824059 | 0.94 | CYP1A2 (0.42) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL7753053 | 0.94 | CYP1A2 (0.42) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL4799760 | 0.94 | CYP1A2 (0.42) | CYP1A2PKMHTTLMNAMAPK1 |
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-5583264-A | REACTING ETHOXYBENZENE WITH ACYL DERIVATIVE IN PRESENCE OF LEWIS ACID CATALYST, AND REDUCING FORMED KETONE WITH HYDROGEN IN PRESENCE OF HYDROGENATION CATALYST, FURTHER HYDROGENATION USING RUTHENIUM ON CARBON CATALYST | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1996-12-10 | — | — | US | disclosed |
| US-5543398-A | PERFUMES, DETERGENTS, FARBIC SOFTENERS, HAIR COSMETICS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1996-08-06 | — | — | US | disclosed |