Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.56 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.54 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | UNG | P13051 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL18406236 | 0.92 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2SRD5A2CYP1B1CYP2A6 | |
| Toluene SCHEMBL18406233 | 0.92 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2SRD5A2CYP1B1CYP2A6 | |
| Terephthalic Acid SCHEMBL5501539 | 0.92 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2SRD5A2CYP2A6TRIM24 | |
| 4-Methylbenzoic Acid SCHEMBL11383447 | 0.92 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2SRD5A2CYP2A6TRIM24 | |
| Terephthalic Acid SCHEMBL11366672 | 0.92 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2SRD5A2CYP2A6TRIM24 | |
| 4-Methylbenzoic Acid SCHEMBL11280739 | 0.92 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2SRD5A2CYP2A6TRIM24 | |
| Methyl Benzoate SCHEMBL10871138 | 0.87 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2SRD5A2CYP1B1CES2 | |
| Benzaldehyde SCHEMBL3842987 | 0.87 | CYP1B1 (0.54) | ALDH1A1SMN1; SMN2CYP1B1CYP2A6CES2 | |
| Benzoic Acid SCHEMBL6157813 | 0.86 | ALDH1A1 (0.74) | ALDH1A1SRD5A2CYP1B1CYP2A6TRIM24 | |
| P-Xylene SCHEMBL28144631 | 0.85 | CYP2A6 (0.75) | ALDH1A1SMN1; SMN2CYP1B1CYP2A6CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116283821-B | Phencyclized propylamine compound, preparation method and application | 郑州大学 | 2024-01-26 | — | — | CN | claimed |
| CN-116283821-A | Phencyclized propylamine compound, preparation method and application | 郑州大学 | 2023-06-23 | — | — | CN | claimed |