Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Aniline SCHEMBL28280194 | 0.95 | TSHR (0.46) | CYP2C9CYP2C19CYP1A2TSHRCYP3A4 | |
| Hexyl Formate SCHEMBL28870103 | 0.93 | TSHR (0.49) | CYP2C9CYP2C19CYP1A2TSHRCYP3A4 | |
| Aniline SCHEMBL28280198 | 0.93 | TSHR (0.49) | CYP2C9CYP2C19CYP1A2TSHRCYP3A4 | |
| Aniline SCHEMBL28281247 | 0.89 | TSHR (0.42) | CYP2C9CYP2C19CYP1A2TSHRCYP3A4 | |
| Butyl Formate SCHEMBL27315053 | 0.84 | LTA4H (0.39) | TSHRCYP3A4LTA4HALDH1A1TDP1 | |
| Butyl Formate SCHEMBL28287342 | 0.84 | LTA4H (0.43) | CYP2C9CYP2C19CYP1A2TSHRCYP3A4 | |
| Butyl Formate SCHEMBL19970642 | 0.82 | TSHR (0.45) | CYP2C19CYP1A2TSHRCYP3A4LMNA | |
| Aniline SCHEMBL28133746 | 0.81 | TSHR (0.46) | CYP2C9CYP2C19CYP1A2TSHRCYP3A4 | |
| Butyl Formate SCHEMBL9279286 | 0.81 | ALDH1A1 (0.49) | TSHRCYP3A4LTA4HALDH1A1TDP1 | |
| Anisole SCHEMBL28263427 | 0.81 | DRD2 (0.50) | PDE4DLTA4HALDH1A1L3MBTL1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-107072201-A | Biofilm formating inhibitor and/or remover and biofilm formation suppressing method and/or removing method | 星光PMC株式会社 | 2017-08-18 | — | — | CN | disclosed |