Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.55 |
| ▸ | JAK2 | O60674 | 1/20 | 0.51 |
| ▸ | JAK1 | P23458 | 1/20 | 0.51 |
| ▸ | AXL | P30530 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 3/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DHPS | P49366 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL28808758 | 0.85 | JAK2 (0.54) | NOS1JAK2JAK1AXLIDO1 | |
| SCHEMBL20789987 | 0.82 | NOS1 (0.55) | NOS1JAK2JAK1AXLIDO1 | |
| Hydrochloric Acid SCHEMBL28295355 | 0.81 | JAK2 (0.50) | NOS1JAK2JAK1AXLIDO1 | |
| SCHEMBL21903867 | 0.79 | ALDH1A1 (0.47) | NOS1JAK2JAK1ALDH1A1LMNA | |
| SCHEMBL574814 | 0.76 | METAP2 (0.55) | NOS1JAK2JAK1AXLIDO1 | |
| SCHEMBL30689208 | 0.71 | NOS1 (0.55) | NOS1IDO1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29904571 | 0.71 | CDK2 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL3133065 | 0.71 | CDK2 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL4314318 | 0.71 | NOS1 (1.00) | NOS1JAK2JAK1AXLIDO1 | |
| SCHEMBL476854 | 0.71 | NOS1 (1.00) | NOS1JAK2JAK1AXLIDO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109790122-A | Heterocyclic compound | 武田药品工业株式会社 | 2019-05-21 | — | — | CN | disclosed |
| EP-2276731-A1 | 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 | Boehringer Ingelheim International GmbH (DE) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009126675-A1 | 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |