Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | INCENP | Q9NQS7 | 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 | |
|---|---|---|---|---|
| SCHEMBL10990639 | 0.74 | BACE1 (0.40) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL10986260 | 0.74 | CYP2A6 (0.41) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL10991349 | 0.72 | KMT2A (0.43) | CYP2C19MAPTALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL4053682 | 0.68 | CYP2A6 (0.49) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL25206285 | 0.68 | CYP11B2 (0.47) | CYP2A6BACE1MAPTDYRK1ACYP11B2 | |
| SCHEMBL29364970 | 0.68 | CYP11B2 (0.47) | CYP2A6BACE1MAPTDYRK1ACYP11B2 | |
| SCHEMBL10987882 | 0.67 | F2 (0.43) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL30522588 | 0.66 | KCNA3 (0.45) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL30522560 | 0.66 | BACE1 (0.46) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL7682175 | 0.66 | ALDH1A1 (0.55) | CYP2A6MAPTALDH1A1KDM4ECA12 |
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 |