Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 2/20 | 0.30 |
| ▸ | ATM | Q13315 | 2/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9858404 | 0.81 | CYP2D6 (0.38) | TSHRTP53MAPTALDH1A1MEN1 | |
| SCHEMBL18499743 | 0.73 | MGLL (0.50) | TDP1ALDH1A1MEN1KMT2APKM | |
| SCHEMBL4969374 | 0.70 | TSHR (0.55) | TSHRCYP2A6NPC1MAPTRAB9A | |
| SCHEMBL11330420 | 0.70 | TSHR (0.48) | TSHRCYP2A6NPC1MAPTRAB9A | |
| SCHEMBL6281493 | 0.69 | TSHR (0.43) | TSHRTP53ACHEALDH1A1MEN1 | |
| SCHEMBL547849 | 0.69 | TSHR (0.52) | TSHRCYP2A6NPC1MAPTRAB9A | |
| SCHEMBL28142551 | 0.69 | TSHR (0.52) | TSHRCYP2A6NPC1MAPTRAB9A | |
| SCHEMBL12522744 | 0.68 | CYP3A4 (0.45) | TDP1KIF11LMNA | |
| SCHEMBL27819037 | 0.67 | TSHR (0.50) | TSHRCYP2A6NPC1MAPTRAB9A | |
| SCHEMBL28013479 | 0.67 | TSHR (0.50) | TSHRCYP2A6NPC1MAPTRAB9A |
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 |