Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 3/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512419 | 0.97 | TSHR (0.37) | TSHRHSD17B10PTPN11PTPN1PTPN6 | |
| SCHEMBL9508854 | 0.96 | TSHR (0.39) | TSHRHSD17B10PTPN11PTPN1PTPN6 | |
| SCHEMBL9509982 | 0.96 | TSHR (0.39) | TSHRHSD17B10ACACBS1PR1MAPT | |
| SCHEMBL9509291 | 0.95 | HSD17B10 (0.47) | TSHRHSD17B10PTPN11PTPN1PTPN6 | |
| SCHEMBL9511483 | 0.95 | TSHR (0.44) | TSHRHSD17B10PTPN11PTPN1PTPN6 | |
| SCHEMBL9511463 | 0.94 | HSD17B10 (0.49) | TSHRHSD17B10PTPN11PTPN1PTPN6 | |
| SCHEMBL9510198 | 0.94 | HSD17B10 (0.49) | TSHRHSD17B10PTPN11PTPN1PTPN6 | |
| SCHEMBL9510175 | 0.94 | ACACB (0.39) | TSHRHSD17B10ALDH1A1ACACB | |
| SCHEMBL10513469 | 0.93 | HSD17B10 (0.48) | TSHRHSD17B10PTPN11PTPN1PTPN6 | |
| SCHEMBL9512408 | 0.93 | HSD17B10 (0.47) | TSHRHSD17B10ALDH1A1HPGDACACB |
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 |