Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Butyl Formate SCHEMBL27315053 | 0.86 | LTA4H (0.39) | LTA4HTSHRTDP1L3MBTL1GAA | |
| Butyl Formate SCHEMBL19970642 | 0.84 | TSHR (0.45) | LTA4HDRD2DRD4DRD3TSHR | |
| Butyl Formate SCHEMBL28169702 | 0.84 | CYP2C9 (0.44) | LTA4HTSHRLMNATDP1L3MBTL1 | |
| Butyl Formate SCHEMBL9279286 | 0.82 | ALDH1A1 (0.49) | LTA4HTSHRTDP1L3MBTL1ALDH1A1 | |
| Anisole SCHEMBL28263427 | 0.82 | DRD2 (0.50) | LTA4HDRD2DRD4DRD3L3MBTL1 | |
| Toluene SCHEMBL28240296 | 0.81 | LTA4H (0.43) | LTA4HDRD2DRD4DRD3TSHR | |
| Toluene SCHEMBL27550219 | 0.80 | TSHR (0.48) | DRD2DRD4DRD3TSHRLMNA | |
| Butyl Formate SCHEMBL28120465 | 0.80 | ALDH1A1 (0.41) | LTA4HTSHRLMNATDP1L3MBTL1 | |
| Butyl Formate SCHEMBL29688477 | 0.79 | ATM (0.42) | TSHRALDH1A1CYP3A4 | |
| Butyl Formate SCHEMBL5847 | 0.79 | — | — |
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-106187766-B | A kind of processing method of o-Xylene Oxidation in Liquid Phase residue | 中国科学院大连化学物理研究所 | 2019-04-23 | — | — | CN | claimed |
| CN-110402244-A | Salts of LSD1 inhibitors | INCYTE CORP | 2019-11-01 | — | — | CN | disclosed |