Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 12/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9497557 | 1.00 | MCHR1 (0.39) | MCHR1ACACBRAB9ACYP2C9HRH3 | |
| SCHEMBL10512030 | 0.97 | ACACB (0.40) | MCHR1ACACBRAB9ACYP2C9HRH3 | |
| SCHEMBL9500588 | 0.94 | RAB9A (0.45) | MCHR1ACACBRAB9ACYP2C9HRH3 | |
| SCHEMBL9500582 | 0.94 | RAB9A (0.45) | MCHR1ACACBRAB9ACYP2C9HRH3 | |
| SCHEMBL9496445 | 0.93 | RAB9A (0.41) | MCHR1ACACBRAB9ACYP2C9HRH3 | |
| SCHEMBL9496458 | 0.93 | RAB9A (0.41) | MCHR1ACACBRAB9ACYP2C9HRH3 | |
| SCHEMBL9496631 | 0.92 | RAB9A (0.41) | MCHR1ACACBRAB9ACYP2C9HRH3 | |
| SCHEMBL9496642 | 0.92 | RAB9A (0.41) | MCHR1ACACBRAB9ACYP2C9HRH3 | |
| SCHEMBL9496135 | 0.92 | CYP2C9 (0.41) | MCHR1ACACBRAB9ACYP2C9HRH3 | |
| SCHEMBL9496123 | 0.92 | CYP2C9 (0.41) | MCHR1ACACBRAB9ACYP2C9HRH3 |
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 |