Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | BCHE | P06276 | 4/20 | 0.35 |
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9858398 | 0.86 | TSHR (0.43) | TSHRTP53LMNAALDH1A1BCHE | |
| SCHEMBL1832904 | 0.84 | MEN1 (0.36) | TSHRTP53LMNASMN1; SMN2MEN1 | |
| SCHEMBL6823447 | 0.84 | SHBG (0.52) | TSHRLMNATYRALDH1A1MEN1 | |
| SCHEMBL1834441 | 0.83 | TAAR1 (0.48) | ALDH1A1HDAC1HTTKMT2AHIF1A | |
| SCHEMBL6826320 | 0.81 | ALDH1A1 (0.42) | LMNAALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL10549168 | 0.78 | NQO1 (0.47) | TSHRALDH1A1HTTKMT2ANPC1 | |
| SCHEMBL66122 | 0.75 | TP53 (0.52) | TSHRTP53LMNAEPHX2NR1H4 | |
| SCHEMBL1864936 | 0.75 | TP53 (0.52) | TSHRTP53LMNAEPHX2NR1H4 | |
| SCHEMBL6826195 | 0.74 | ESR1 (0.52) | — | |
| Methane SCHEMBL9798334 | 0.73 | TP53 (0.50) | TSHRTP53LMNAEPHX2NR1H4 |
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 6 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 | claimed |
| US-4837201-A | 4-Methyl-4-phenyl-1-pentanals, their preparation and their use as scents | BASF AKTIENGESELLSCHAFT (DE) | 1989-06-06 | — | — | US | claimed |
| EP-0291849-A2 | 4-Methyl-4-phenyl-pentan-1-als, their preparation and application as aroma chemicals | BASF Aktiengesellschaft (DE) | 1988-11-23 | — | — | EP | claimed |
| 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 |