Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | LTA4H | P09960 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | MAOB | P27338 | 4/20 | 0.58 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11684273 | 0.94 | CYP1A2 (0.61) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11682505 | 0.87 | BCHE (0.55) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8790159 | 0.87 | CYP1A2 (0.64) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3420518 | 0.84 | EBP (0.64) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4624885 | 0.82 | EBP (0.62) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11681713 | 0.81 | TSHR (0.77) | LTA4HMAOBTSHRL3MBTL1BCHE | |
| SCHEMBL11682494 | 0.81 | BCHE (0.52) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9112270 | 0.80 | LTA4H (0.57) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11681954 | 0.80 | CYP1A2 (0.56) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11682726 | 0.80 | MAOB (0.48) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 |
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-4041024-A | FOR POLYAMIDES AND POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-09 | — | — | US | disclosed |