Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5534588 | 0.83 | CES2 (0.35) | CES2OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL5544412 | 0.69 | HTR5A (0.34) | NOS3NOS1NOS2HTR5ASMN1; SMN2 | |
| SCHEMBL24386583 | 0.68 | NOS1 (0.37) | CES2ALDH1A1HPGDNOS3NOS1 | |
| SCHEMBL19804816 | 0.68 | NOS1 (0.47) | ALDH1A1KDM4ENOS3NOS1NOS2 | |
| SCHEMBL20416076 | 0.68 | NOS1 (0.37) | NOS3NOS1NOS2HTR5A | |
| SCHEMBL29366966 | 0.67 | HTR2A (0.40) | ALDH1A1HPGDKDM4EHTR5ATP53 | |
| SCHEMBL4607718 | 0.67 | — | — | |
| SCHEMBL5548408 | 0.66 | CNR2 (0.38) | CES2ALDH1A1HPGDTP53MAPK1 | |
| SCHEMBL6903762 | 0.64 | CDC25B (0.46) | CES2ALDH1A1HPGDKDM4EL3MBTL1 | |
| Bicarbonate SCHEMBL11083414 | 0.63 | CES2 (0.40) | CES2ALDH1A1L3MBTL1GLASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3074395-A1 | PROCESS FOR THE PREPARATION OF 8-(4-AMINOPHENOXY)-4H-PYRIDO[2,3-B]PYRAZIN-3-ONE DERIVATIVES | Cancer Research Technology Ltd (GB) | 2016-10-05 | — | — | EP | disclosed |
| WO-2015075482-A1 | PROCESS FOR THE PREPARATION OF 8-(4-AMINOPHENOXY)-4H-PYRIDO[2,3-B]PYRAZIN-3-ONE DERIVATIVES | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2015-05-28 | — | — | WO | disclosed |