Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NEK2 | P51955 | 1/20 | 0.42 |
| ▸ | GAK | O14976 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29014973 | 0.80 | CYP1A1 (0.49) | PTGS2TUBB1BRD4ALDH1A1MAPT | |
| SCHEMBL30451034 | 0.80 | CYP1A1 (0.49) | PTGS2TUBB1BRD4ALDH1A1MAPT | |
| SCHEMBL7563700 | 0.79 | TUBB4A (0.51) | TUBB1ADORA3CA12CA1CA2 | |
| SCHEMBL25391019 | 0.76 | FYN (0.55) | TUBB1ADORA3CA12CA1CA2 | |
| SCHEMBL7504766 | 0.76 | KDM4E (0.60) | KDM4EALDH1A1MAPT | |
| SCHEMBL26036259 | 0.75 | TUBB1 (0.45) | PTGS2TUBB1CA12CA1CA2 | |
| SCHEMBL26036244 | 0.75 | TUBB1 (0.45) | PTGS2TUBB1CA12CA1CA2 | |
| SCHEMBL7556935 | 0.74 | ACVR1 (0.57) | ADORA3KDM4EALDH1A1MAPT | |
| SCHEMBL28005506 | 0.74 | SMN1; SMN2 (0.53) | PTGS2TUBB1KDM4EALDH1A1MAPT | |
| SCHEMBL13813556 | 0.74 | PTGS2 (0.53) | PTGS2TUBB1BRD4ALDH1A1MAPT |
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-1222169-A1 | NOVEL TRISUBSTITUTED PYRIDINE COMPOUNDS | AstraZeneca AB (SE) | 2002-07-17 | — | — | EP | disclosed |
| WO-2001025204-A1 | NOVEL TRISUBSTITUTED PYRIDINE COMPOUNDS | ASTRAZENECA AB (SE) | 2001-04-12 | — | — | WO | disclosed |