Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.31 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL7947262 | 0.67 | — | — | |
| SCHEMBL28490903 | 0.67 | ALDH1A1 (0.41) | ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5585868 | 0.67 | POLB (0.41) | ALDH1A1KDM4EMEN1KMT2A | |
| Benzaldehyde SCHEMBL27872156 | 0.66 | ALDH1A1 (0.70) | ALDH1A1CYP2A6MEN1KMT2ASMN1; SMN2 | |
| Benzaldehyde SCHEMBL28179933 | 0.66 | ALDH1A1 (0.70) | ALDH1A1CYP2A6MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7072099 | 0.66 | CHRNB2 (0.44) | ALDH1A1KDM4EKMT2ARAB9ASMN1; SMN2 | |
| SCHEMBL2855095 | 0.66 | KDM4E (0.40) | ALDH1A1KDM4EKMT2ARAB9ASMN1; SMN2 | |
| Benzaldehyde SCHEMBL1945023 | 0.65 | ALDH1A1 (0.88) | ALDH1A1CYP2A6MEN1KMT2APPARG | |
| Benzaldehyde SCHEMBL9236967 | 0.65 | — | — | |
| Benzaldehyde SCHEMBL573 | 0.65 | — | — |
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-1267423-C | Substituted 2-phenylaminoimidazolinylphenyl ketone derivatives as IP antagonists | HOFFMANN LA ROCHE (CH) | 2006-08-02 | — | — | CN | disclosed |
| CN-1474813-A | Substituted 2-phenylaminoimidazolinylphenyl ketone derivatives as IP antagonists | - | 2004-02-11 | — | — | CN | disclosed |