Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 6/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ACACB | O00763 | 9/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512258 | 0.93 | NPC1 (0.57) | MCHR1CHRM1HTR2ACYP2D6NPC1 | |
| SCHEMBL9512478 | 0.90 | NPC1 (0.54) | MCHR1CHRM1HTR2ACYP2D6NPC1 | |
| SCHEMBL9512304 | 0.86 | NQO1 (0.52) | MCHR1CHRM1HTR2ACYP2D6SMN1; SMN2 | |
| SCHEMBL10513340 | 0.85 | MCHR1 (0.52) | MCHR1CHRM1HTR2ACYP2D6NPC1 | |
| SCHEMBL16706066 | 0.85 | ACACB (0.57) | MCHR1MEN1KMT2AACACB | |
| SCHEMBL3434851 | 0.85 | ACACB (0.57) | MCHR1MEN1KMT2AACACB | |
| SCHEMBL257325 | 0.85 | MEN1 (0.58) | NPC1RAB9ASMN1; SMN2HSD17B10MEN1 | |
| Ammonia Solution, Strong SCHEMBL9482064 | 0.83 | MEN1 (0.57) | NPC1RAB9ASMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL9511344 | 0.83 | MEN1 (0.44) | MCHR1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL9512559 | 0.83 | MCHR1 (0.51) | MCHR1CYP2D6ACACBCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |