Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 9/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9500347 | 1.00 | MCHR1 (0.40) | MCHR1RAB9AHRH3ESR2ACACB | |
| SCHEMBL10511453 | 0.96 | MCHR1 (0.38) | MCHR1RAB9AHRH3ESR2ACACB | |
| SCHEMBL9498316 | 0.94 | RAB9A (0.46) | MCHR1RAB9AHRH3ACACBCYP2C9 | |
| SCHEMBL9498325 | 0.94 | RAB9A (0.46) | MCHR1RAB9AHRH3ACACBCYP2C9 | |
| SCHEMBL9497635 | 0.93 | RAB9A (0.43) | MCHR1RAB9AHRH3ESR2ACACB | |
| SCHEMBL9497643 | 0.93 | RAB9A (0.43) | MCHR1RAB9AHRH3ESR2ACACB | |
| SCHEMBL9496673 | 0.92 | RAB9A (0.42) | MCHR1RAB9AHRH3ACACBCYP2C9 | |
| SCHEMBL9496666 | 0.92 | RAB9A (0.42) | MCHR1RAB9AHRH3ACACBCYP2C9 | |
| SCHEMBL9497565 | 0.90 | MCHR1 (0.39) | MCHR1RAB9AHRH3ACACBCYP1A2 | |
| SCHEMBL9497557 | 0.90 | MCHR1 (0.39) | MCHR1RAB9AHRH3ACACBCYP1A2 |
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 2 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 |