Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PRKCG | P05129 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | BLK | P51451 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511393 | 0.99 | ALDH1A1 (0.38) | ALDH1A1HPGDKCNH2MAPTTHRB | |
| SCHEMBL9509499 | 0.96 | ALDH1A1 (0.36) | ALDH1A1HPGDKCNH2MAPTTHRB | |
| SCHEMBL9512360 | 0.95 | DRD2 (0.35) | ALDH1A1HPGDKCNH2MAPTTHRB | |
| SCHEMBL9509953 | 0.92 | CYP2D6 (0.37) | KCNH2L3MBTL1MEN1KMT2A | |
| SCHEMBL9510222 | 0.91 | ACACB (0.35) | ALDH1A1KCNH2MAPTGAAKDM4E | |
| SCHEMBL10514590 | 0.91 | MAPT (0.37) | ALDH1A1HPGDKCNH2MAPTTHRB | |
| SCHEMBL9508805 | 0.88 | ALDH1A1 (0.39) | ALDH1A1HPGDTHRBCHUKDAPK3 | |
| SCHEMBL9508826 | 0.88 | AAK1 (0.36) | ALDH1A1KCNH2MAPT | |
| SCHEMBL9509482 | 0.87 | HSD17B10 (0.45) | ALDH1A1HPGDMAPTTHRBNPSR1 | |
| SCHEMBL9512402 | 0.87 | HSD17B10 (0.45) | ALDH1A1HPGDMAPTTHRBNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |
| EP-0308438-A1 | Liquid crystal phase containing tolanes. | MERCK PATENT GMBH (DE) | 1989-03-29 | — | — | EP | disclosed |
| WO-1988007514-A1 | TOLANES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |