Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9497635 | 1.00 | RAB9A (0.43) | RAB9AHRH3CYP2C9MCHR1LMNA | |
| SCHEMBL9496666 | 0.99 | RAB9A (0.42) | RAB9AHRH3CYP2C9MCHR1LMNA | |
| SCHEMBL9496673 | 0.99 | RAB9A (0.42) | RAB9AHRH3CYP2C9MCHR1LMNA | |
| SCHEMBL9498325 | 0.96 | RAB9A (0.46) | RAB9AHRH3CYP2C9MCHR1HPGD | |
| SCHEMBL9498316 | 0.96 | RAB9A (0.46) | RAB9AHRH3CYP2C9MCHR1HPGD | |
| SCHEMBL9500347 | 0.93 | MCHR1 (0.40) | RAB9AHRH3CYP2C9MCHR1ALDH1A1 | |
| SCHEMBL9500360 | 0.93 | MCHR1 (0.40) | RAB9AHRH3CYP2C9MCHR1ALDH1A1 | |
| SCHEMBL9496458 | 0.91 | RAB9A (0.41) | RAB9AHRH3CYP2C9MCHR1LMNA | |
| SCHEMBL9496445 | 0.91 | RAB9A (0.41) | RAB9AHRH3CYP2C9MCHR1LMNA | |
| SCHEMBL9512268 | 0.90 | RAB9A (0.51) | RAB9AHRH3CYP2C9LMNAHPGD |
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 4 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 |
| EP-0306505-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1989-03-15 | — | — | EP | disclosed |
| WO-1988007523-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |