Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.70 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | UNG | P13051 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
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 SCHEMBL27583527 | 0.95 | ALDH1A1 (0.64) | ALDH1A1CYP2A6NPSR1UNGTSHR | |
| M-Xylene SCHEMBL28173214 | 0.91 | CYP2A6 (0.64) | ALDH1A1CYP2A6NPSR1UNGTSHR | |
| Benzaldehyde SCHEMBL2248209 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP2A6UNGTSHRLMNA | |
| P-Xylene SCHEMBL28144631 | 0.87 | CYP2A6 (0.75) | ALDH1A1CYP2A6TSHRLMNAALOX12 | |
| Benzaldehyde SCHEMBL9721845 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP2A6UNGTSHRLMNA | |
| SCHEMBL28950896 | 0.87 | CYP2A6 (0.74) | ALDH1A1CYP2A6TSHRTYRERN1 | |
| Benzaldehyde SCHEMBL8068794 | 0.85 | CYP2A6 (0.80) | ALDH1A1CYP2A6TSHRLMNAALOX12 | |
| Orcinol SCHEMBL10878362 | 0.85 | ALDH1A1 (0.56) | ALDH1A1CYP2A6UNGTSHRACHE | |
| Benzaldehyde SCHEMBL6334311 | 0.84 | ALDH1A1 (0.88) | ALDH1A1CYP2A6UNGTSHRLMNA | |
| Benzaldehyde SCHEMBL27780794 | 0.84 | ALDH1A1 (0.88) | ALDH1A1CYP2A6UNGTSHRLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115819204-B | Preparation method of trimethoprim | 山东久日化学科技有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-112279940-B | Acylphosphine photoinitiator and preparation method thereof | 山东科技大学 | 2023-06-27 | — | — | CN | disclosed |
| CN-115819204-A | Preparation method of mesitylene formaldehyde | 山东久日化学科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-110283206-A | The continuous preparation method of trimethylbenzoy-dipheny phosphine oxide-type compound | 维思普新材料（苏州）有限公司 | 2019-09-27 | — | — | CN | disclosed |
| CN-102875598-B | (diphenyl phosphinyl groups) (mesitylene base) ketone and the preparation method of (phosphniline epoxide) double (mesitylene base ketone) | 深圳市有为化学技术有限公司 | 2016-09-07 | — | — | CN | disclosed |