Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KLK14 | Q9P0G3 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10987882 | 0.78 | F2 (0.43) | TLR8CYP2A6CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL10992902 | 0.74 | CYP2A6 (0.41) | BACE1DYRK1ACYP2A6CYP2E1CYP2C9 | |
| SCHEMBL10994181 | 0.73 | TLR8 (0.40) | BACE1PTGS2TLR8CYP2A6CYP2E1 | |
| SCHEMBL10989810 | 0.70 | KDM4C (0.38) | DYRK1ACYP2C9CYP2C19KDM4EHSD17B10 | |
| SCHEMBL30522560 | 0.67 | BACE1 (0.46) | BACE1CYP2A6CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL10983839 | 0.66 | ALDH1A1 (0.49) | CYP2A6CYP11B2CYP11B1KDM4EHTT | |
| SCHEMBL4053682 | 0.66 | CYP2A6 (0.49) | BACE1TLR8CYP2A6CYP2E1CYP2C9 | |
| SCHEMBL25206285 | 0.66 | CYP11B2 (0.47) | BACE1DYRK1ACYP2A6CYP11B2CYP11B1 | |
| SCHEMBL29364970 | 0.66 | CYP11B2 (0.47) | BACE1DYRK1ACYP2A6CYP11B2CYP11B1 | |
| SCHEMBL10991349 | 0.65 | KMT2A (0.43) | TLR8CYP2C19HSD17B10F2MAPT |
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-4497814-A | 2-(Pyridinyl)-1,2,4-triazolo[1,5-a]pyrimidines and derivatives useful in increasing cardiac contractility | SCHERING CORPORATION (US) | 1985-02-05 | — | — | US | disclosed |