Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 1/20 | 0.57 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ATP4A | P20648 | 1/20 | 0.43 |
| ▸ | ATP4B | P51164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8047466 | 0.90 | LTA4H (0.51) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL10620816 | 0.88 | LTA4H (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11663463 | 0.87 | PPARG (0.56) | LSSCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL11674918 | 0.87 | LTA4H (0.49) | LTA4HCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10529326 | 0.87 | TSHR (0.55) | LTA4HCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10530995 | 0.87 | LTA4H (0.63) | LTA4HCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11678914 | 0.86 | LSS (0.47) | LSSCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL11678842 | 0.86 | MCHR1 (0.47) | LSSCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL11677138 | 0.86 | LTA4H (0.47) | LSSLTA4HGBA1TSHR | |
| SCHEMBL11678785 | 0.86 | LSS (0.56) | LSSCHRNB2CHRNB4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-4051117-A | Triazole-azo-phenyl cationic dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-27 | — | — | US | disclosed |
| US-4051084-A | BENZOTHIAZOLE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-27 | — | — | US | disclosed |