Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28623786 | 0.75 | NPC1 (0.52) | ERN1CYP2A6CYP3A4NPC1HSP90AA1 | |
| SCHEMBL3572760 | 0.73 | HSP90AA1 (0.57) | CYP2A6PTGS2LMNAPOLBCYP3A4 | |
| SCHEMBL19737559 | 0.71 | LIMK1 (0.48) | ERN1CYP2A6POLBCYP3A4NPC1 | |
| SCHEMBL17205245 | 0.70 | PTGS2 (0.59) | ERN1PTGS2 | |
| SCHEMBL9782052 | 0.70 | TRIM24 (0.50) | ERN1LMNANPC1HSP90AA1ALDH1A1 | |
| SCHEMBL19737563 | 0.70 | TTK (0.49) | ERN1CYP2A6CYP3A4NPC1HSP90AA1 | |
| SCHEMBL4609096 | 0.68 | GLP1R (0.33) | ERN1ALDH1A1 | |
| SCHEMBL4709367 | 0.68 | GLP1R (0.39) | ERN1CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL28004656 | 0.68 | PTGS2 (0.60) | CYP2A6PTGS2LMNAPOLBCYP3A4 | |
| SCHEMBL456882 | 0.68 | CYP2C9 (0.43) | ERN1CYP2A6PTGS2LMNAPOLB |
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-110678463-A | Substituted nitrogen-containing compounds | 百时美施贵宝公司 | 2020-01-10 | — | — | CN | disclosed |