Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 10/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6168671 | 0.76 | ALDH1A1 (0.45) | KDM4EALDH1A1HTTRAB9AHSD17B10 | |
| SCHEMBL6169959 | 0.67 | MAPT (0.46) | ALDH1A1HTTEPHX1MAPTEPHX2 | |
| SCHEMBL6168149 | 0.67 | MAPT (0.45) | ALDH1A1HTTHSD17B10EPHX1MAPT | |
| SCHEMBL6170836 | 0.66 | MAPT (0.44) | KDM4EALDH1A1HTTEPHX1MAPT | |
| SCHEMBL10363404 | 0.63 | ALDH1A1 (0.54) | KDM4EALDH1A1HTTRAB9AHSD17B10 | |
| SCHEMBL10362622 | 0.63 | ALDH1A1 (0.51) | KDM4EALDH1A1HTTRAB9AHSD17B10 | |
| SCHEMBL10363149 | 0.63 | EPHX2 (0.55) | KDM4EALDH1A1HTTEPHX1MAPT | |
| SCHEMBL10363572 | 0.62 | ALDH1A1 (0.53) | KDM4EALDH1A1HTTRAB9AHSD17B10 | |
| SCHEMBL5810545 | 0.61 | EPHX1 (0.67) | ALDH1A1HTTEPHX1EPHX2ZDHHC20 | |
| SCHEMBL1822583 | 0.60 | EPHX1 (0.58) | KDM4EALDH1A1HTTEPHX1MAPT |
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-1163236-A1 | AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000055152-A1 | AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |