Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 6/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | PRKCG | P05129 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | BLK | P51451 | 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 | |
|---|---|---|---|---|
| SCHEMBL9508854 | 0.99 | TSHR (0.39) | TSHRHSD17B10ALDH1A1HPGDACACB | |
| SCHEMBL9510052 | 0.97 | TSHR (0.41) | TSHRHSD17B10ALDH1A1HPGDACACB | |
| SCHEMBL9510175 | 0.96 | ACACB (0.39) | TSHRHSD17B10ALDH1A1ACACB | |
| SCHEMBL9512252 | 0.95 | HSD17B10 (0.43) | TSHRHSD17B10ALDH1A1HPGDACACB | |
| SCHEMBL9512321 | 0.95 | TSHR (0.40) | TSHRHSD17B10ALDH1A1HPGDACACB | |
| SCHEMBL9509982 | 0.94 | TSHR (0.39) | TSHRHSD17B10ACACBS1PR1 | |
| SCHEMBL9508818 | 0.94 | HSD17B10 (0.45) | TSHRHSD17B10ALDH1A1HPGDFFAR1 | |
| SCHEMBL9512279 | 0.94 | HSD17B10 (0.42) | TSHRHSD17B10ALDH1A1HPGDACACB | |
| SCHEMBL9512402 | 0.94 | HSD17B10 (0.45) | TSHRHSD17B10ALDH1A1HPGDFFAR1 | |
| SCHEMBL9509482 | 0.94 | HSD17B10 (0.45) | TSHRHSD17B10ALDH1A1HPGDFFAR1 |
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 1 patent. 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 |