Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL476127 | 0.67 | PTGS1 (0.48) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL6960730 | 0.67 | TP53 (0.48) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL41195 | 0.65 | CALM1 (0.50) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL8575145 | 0.63 | TP53 (0.50) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL11075647 | 0.61 | CALM1 (0.53) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Ethylbenzene SCHEMBL1332452 | 0.61 | — | — | |
| Ethylbenzene SCHEMBL11223212 | 0.61 | TP53 (1.00) | TP53ALDH1A1CALM1TSHRIDO1 | |
| Ethylbenzene SCHEMBL7458207 | 0.61 | TP53 (1.00) | TP53ALDH1A1CALM1TSHRIDO1 | |
| Ethane SCHEMBL21049496 | 0.61 | ALDH1A1 (0.61) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL146 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3971825-A | (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS | SANKYO COMPANY LIMITED (JA) | 1976-07-27 | — | — | US | disclosed |