Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.38 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 SCHEMBL11201800 | 0.80 | ALDH1A1 (0.61) | ALDH1A1CYP2A6MAPTMIFCYP1A2 | |
| Benzaldehyde SCHEMBL6061133 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRMAOBTRPA1 | |
| Benzaldehyde SCHEMBL896024 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRMAOBTRPA1 | |
| Benzene SCHEMBL11299980 | 0.80 | TSHR (0.93) | CYP2A6TSHRMAPTMAOBMAOA | |
| Benzaldehyde SCHEMBL573 | 0.80 | — | — | |
| Benzaldehyde SCHEMBL10051945 | 0.80 | — | — | |
| Benzaldehyde SCHEMBL9236967 | 0.80 | — | — | |
| Benzaldehyde SCHEMBL1330097 | 0.80 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2A6TSHRMAOBTRPA1 | |
| Benzaldehyde SCHEMBL2064568 | 0.77 | ALDH1A1 (0.93) | ALDH1A1CYP2A6TSHRMAOBMAOA |
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-114276506-B | Diamond type three-dimensional covalent organic framework material and preparation method thereof | 江南大学 | 2023-10-27 | — | — | CN | claimed |
| US-6080892-A | Method of producing substituted benzaldehydes with catalytic amounts of acid | MILLIKEN & COMPANY (US) | 2000-06-27 | — | — | US | disclosed |