Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | BCHE | P06276 | 5/20 | 0.39 |
| ▸ | ACHE | P22303 | 5/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9858415 | 0.82 | TSHR (0.52) | TSHRALDH1A1ACHEKIF11HPGD | |
| SCHEMBL5682958 | 0.82 | — | — | |
| SCHEMBL24278474 | 0.80 | RAB9A (0.37) | ALDH1A1ACHENPC1MAPTMAPK1 | |
| SCHEMBL9790116 | 0.80 | ESR1 (0.54) | TSHRLMNATYRALDH1A1KIF11 | |
| SCHEMBL24277963 | 0.80 | TGM2 (0.41) | TSHRALDH1A1KIF11CYP1A2 | |
| SCHEMBL737574 | 0.79 | MAPK1 (0.44) | TSHRALDH1A1MAPTMAPK1HDAC1 | |
| SCHEMBL424728 | 0.76 | TSHR (0.73) | TSHRLMNATYRALDH1A1BCHE | |
| SCHEMBL4926591 | 0.76 | TSHR (0.50) | TSHRLMNATYRALDH1A1BCHE | |
| SCHEMBL23747059 | 0.75 | KIF11 (0.41) | TSHRLMNAALDH1A1KIF11HPGD | |
| SCHEMBL9003382 | 0.75 | TSHR (0.44) | TSHRLMNATYRALDH1A1BCHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |