Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CHUK | O15111 | 1/20 | 0.30 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | PRKCG | P05129 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | AKT2 | P31751 | 1/20 | 0.30 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.30 |
| ▸ | BLK | P51451 | 1/20 | 0.30 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.30 |
| ▸ | JAK3 | P52333 | 1/20 | 0.30 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.30 |
| ▸ | PRKCZ | Q05513 | 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 | |
|---|---|---|---|---|
| SCHEMBL9500089 | 1.00 | ALDH1A1 (0.34) | ALDH1A1HPGDL3MBTL1CHUKDAPK3 | |
| SCHEMBL9496463 | 0.99 | ALDH1A1 (0.36) | ALDH1A1HPGDL3MBTL1CHUKDAPK3 | |
| SCHEMBL9496457 | 0.99 | ALDH1A1 (0.36) | ALDH1A1HPGDL3MBTL1CHUKDAPK3 | |
| SCHEMBL9855548 | 0.97 | ALDH1A1 (0.33) | ALDH1A1HPGD | |
| SCHEMBL9499547 | 0.97 | ALDH1A1 (0.33) | ALDH1A1HPGD | |
| SCHEMBL9495322 | 0.97 | ALDH1A1 (0.33) | ALDH1A1HPGD | |
| SCHEMBL9496118 | 0.96 | ALDH1A1 (0.30) | ALDH1A1HPGD | |
| SCHEMBL9496126 | 0.96 | ALDH1A1 (0.30) | ALDH1A1HPGD | |
| SCHEMBL9854915 | 0.93 | — | — | |
| SCHEMBL9494894 | 0.93 | — | — |
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-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |