Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL9858710 | 0.81 | TSHR (0.44) | KMT2AMAPTTP53TSHRALDH1A1 | |
| SCHEMBL12522744 | 0.77 | CYP3A4 (0.45) | CYP1A2CYP3A4KIF11 | |
| SCHEMBL2589780 | 0.77 | MAPT (0.41) | CYP2D6CYP1A2MAPK1KMT2AMAPT | |
| SCHEMBL11000692 | 0.77 | MAPK1 (0.37) | CYP2D6CYP1A2MAPK1KMT2AMAPT | |
| SCHEMBL28550386 | 0.76 | CYP2D6 (0.46) | CYP2D6CYP1A2KMT2AMAPTCYP2C19 | |
| Tert-Butylbenzene SCHEMBL5396508 | 0.76 | TSHR (0.50) | CYP2D6CYP1A2MAPK1KMT2AMAPT | |
| SCHEMBL575235 | 0.74 | MAPK1 (0.46) | CYP2D6CYP1A2MAPK1KMT2AMAPT | |
| SCHEMBL9279074 | 0.74 | MAPK1 (0.46) | CYP2D6CYP1A2MAPK1KMT2AMAPT | |
| SCHEMBL27677424 | 0.74 | CYP2D6 (0.38) | CYP2D6CYP1A2MAPK1KMT2AMAPT | |
| SCHEMBL9246304 | 0.74 | ESR2 (0.39) | CYP2D6CYP1A2MAPK1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-116322327-A | Method for preparing microcapsules | 西姆莱斯股份公司 | 2023-06-23 | — | — | CN | disclosed |
| EP-0291849-B1 | 4-METHYL-4-PHENYL-PENTAN-1-ALS, THEIR PREPARATION AND APPLICATION AS AROMA CHEMICALS | BASF Aktiengesellschaft (DE) | 1991-10-16 | — | — | EP | disclosed |
| US-4837201-A | 4-Methyl-4-phenyl-1-pentanals, their preparation and their use as scents | BASF AKTIENGESELLSCHAFT (DE) | 1989-06-06 | — | — | US | disclosed |
| EP-0291849-A2 | 4-Methyl-4-phenyl-pentan-1-als, their preparation and application as aroma chemicals | BASF Aktiengesellschaft (DE) | 1988-11-23 | — | — | EP | disclosed |