Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 11/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.53 |
| ▸ | HTR2A | P28223 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | ACACB | O00763 | 7/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9496092 | 0.94 | MCHR1 (0.54) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL9495279 | 0.92 | MCHR1 (0.52) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL9497781 | 0.90 | MCHR1 (0.51) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL9495546 | 0.88 | ACACB (0.53) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL9495568 | 0.88 | ACACB (0.56) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL10514134 | 0.86 | MCHR1 (0.49) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL9495680 | 0.84 | ACACB (0.53) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL9854970 | 0.84 | ACACB (0.47) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL9497080 | 0.83 | MCHR1 (0.52) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL9496091 | 0.82 | ACACB (0.58) | MCHR1ACACB |
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 |