Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.43 |
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | FBP1 | P09467 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL226631 | 0.93 | FBP1 (0.46) | NPC1RAB9AALDH1A1FBP1SMN1; SMN2 | |
| SCHEMBL5953086 | 0.68 | ALDH1A1 (0.48) | NPC1RAB9AALDH1A1FBP1SMN1; SMN2 | |
| 2-Mercaptobenzothiazole SCHEMBL28518526 | 0.66 | NPC1 (0.47) | NPC1RAB9AALDH1A1FBP1SMN1; SMN2 | |
| SCHEMBL2034241 | 0.66 | SMN1; SMN2 (0.62) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL6410067 | 0.66 | FBP1 (0.38) | FBP1L3MBTL1PDK1 | |
| SCHEMBL578124 | 0.65 | NOS1 (0.34) | ALDH1A1GAA | |
| SCHEMBL175532 | 0.65 | ALOX15 (0.60) | RAB9AALDH1A1SMN1; SMN2L3MBTL1CYP1A2 | |
| Benzene SCHEMBL28273759 | 0.65 | SMN1; SMN2 (0.65) | NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL31173766 | 0.65 | ALOX15 (0.60) | RAB9AALDH1A1SMN1; SMN2L3MBTL1CYP1A2 | |
| SCHEMBL11428596 | 0.65 | NPC1 (0.53) | NPC1RAB9AALDH1A1FBP1SMN1; 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-1499616-A1 | HETEROCYCLIC COMPOUNDS | AstraZeneca AB (SE) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003087104-A1 | HETEROCYCLIC COMPOUNDS | ASTRAZENECA AB (SE) | 2003-10-23 | — | — | WO | disclosed |