Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL328780 | 0.85 | LTA4H (0.42) | MAPTALDH1A1TSHRLTA4HCA2 | |
| SCHEMBL20524986 | 0.81 | CYP2A6 (0.32) | CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL8125384 | 0.79 | — | — | |
| SCHEMBL3237917 | 0.74 | CA1 (0.30) | CA2 | |
| SCHEMBL8124707 | 0.72 | LMNA (0.46) | ALDH1A1LTA4HLMNASMN1; SMN2TDP1 | |
| SCHEMBL328940 | 0.71 | LTA4H (0.39) | CYP2A6MAPTALDH1A1TSHRLTA4H | |
| SCHEMBL4720994 | 0.70 | RAB9A (0.38) | MAPTALDH1A1TSHRMMP2MMP9 | |
| SCHEMBL705487 | 0.70 | — | — | |
| SCHEMBL64917 | 0.70 | CYP1A2 (0.40) | CYP2A6MAPTALDH1A1CA2CA9 | |
| SCHEMBL8533924 | 0.70 | — | — |
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-1028945-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | Amgen Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999024404-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | AMGEN INC. (US) | 1999-05-20 | — | — | WO | disclosed |