Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | LTA4H | P09960 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | EBP | Q15125 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11684281 | 0.94 | CYP1A2 (0.66) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11682494 | 0.87 | BCHE (0.52) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12610941 | 0.82 | CYP2D6 (0.74) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1405290 | 0.82 | CYP2D6 (0.74) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11681701 | 0.81 | TSHR (0.68) | LTA4HMAOB | |
| SCHEMBL11682505 | 0.81 | BCHE (0.55) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13407333 | 0.81 | POLB (0.51) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8790159 | 0.81 | CYP1A2 (0.64) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9112270 | 0.80 | LTA4H (0.57) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL10505479 | 0.80 | CYP2D6 (0.72) | 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 |