Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 8/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9496565 | 1.00 | ACACB (0.42) | ACACBMCHR1RAB9ACHRM1HTR2A | |
| SCHEMBL9495014 | 0.97 | ACACB (0.41) | ACACBMCHR1RAB9ACHRM1HTR2A | |
| SCHEMBL9495006 | 0.97 | ACACB (0.41) | ACACBMCHR1RAB9ACHRM1HTR2A | |
| SCHEMBL9495717 | 0.93 | ACACB (0.43) | ACACBMCHR1RAB9ACHRM1HTR2A | |
| SCHEMBL9495707 | 0.93 | ACACB (0.43) | ACACBMCHR1RAB9ACHRM1HTR2A | |
| SCHEMBL9498046 | 0.92 | ACACB (0.45) | ACACBMCHR1RAB9ACHRM1HTR2A | |
| SCHEMBL9498034 | 0.92 | ACACB (0.45) | ACACBMCHR1RAB9ACHRM1HTR2A | |
| SCHEMBL9495869 | 0.91 | ACACB (0.44) | ACACBMCHR1RAB9ACHRM1HTR2A | |
| SCHEMBL9495876 | 0.91 | ACACB (0.44) | ACACBMCHR1RAB9ACHRM1HTR2A | |
| SCHEMBL9498896 | 0.90 | ACACB (0.48) | ACACBMCHR1RAB9ACHRM1HTR2A |
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 |