Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | PTPRA | P18433 | 1/20 | 0.32 |
| ▸ | IL1RN | P18510 | 1/20 | 0.31 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.31 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL8766530 | 0.76 | CYP1A2 (0.49) | PTPRANOS1 | |
| SCHEMBL8766796 | 0.76 | KDM4E (0.34) | NOS1 | |
| SCHEMBL8765582 | 0.71 | CYP2C19 (0.49) | — | |
| SCHEMBL8766708 | 0.71 | ALDH1A1 (0.49) | — | |
| SCHEMBL15452338 | 0.70 | MAPT (0.47) | — | |
| SCHEMBL16672942 | 0.69 | ERAP1 (0.46) | IL1RNERAP2ERAP1 | |
| SCHEMBL2831370 | 0.69 | TBXAS1 (0.47) | NAAA | |
| SCHEMBL1712974 | 0.67 | LMNA (0.47) | — | |
| SCHEMBL3936899 | 0.67 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL5285402 | 0.67 | ARG1 (0.44) | — |
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-0785782-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011686-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-04-25 | — | — | WO | disclosed |