Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 3/20 | 0.32 |
| ▸ | STK17B | O94768 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL22872129 | 0.81 | ESR2 (0.44) | ESR2NPC1RAB9A | |
| SCHEMBL23346031 | 0.80 | CYP2C9 (0.49) | ESR2RAB9AESR1KDM4EALDH1A1 | |
| SCHEMBL14207647 | 0.80 | ESR2 (0.45) | ESR2NPC1RAB9AAPPFDPS | |
| SCHEMBL23346035 | 0.78 | ESR2 (0.40) | ESR2APPESR1 | |
| SCHEMBL11187396 | 0.78 | ESR2 (0.68) | ESR2NPC1RAB9AESR1NOTUM | |
| SCHEMBL11187392 | 0.78 | ESR2 (0.68) | ESR2NPC1RAB9AESR1NOTUM | |
| SCHEMBL23346040 | 0.78 | ESR2 (0.39) | ESR2 | |
| SCHEMBL9290069 | 0.77 | ESR2 (0.57) | ESR2NPC1RAB9ACSNK1A1CSNK1D | |
| SCHEMBL10947296 | 0.77 | ESR2 (0.57) | ESR2NPC1RAB9ACSNK1A1CSNK1D | |
| SCHEMBL11196166 | 0.75 | ESR2 (0.77) | ESR2NPC1RAB9AESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210139779-A1 | Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same | MERCK PATENT GMBH (DE) | 2021-05-13 | — | — | US | disclosed |