Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.49 |
| ▸ | ACACB | O00763 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9500532 | 0.97 | MCHR1 (0.47) | MCHR1ACACBKDM4ERAB9AALDH1A1 | |
| SCHEMBL9497455 | 0.94 | MCHR1 (0.49) | MCHR1ACACBSMN1; SMN2L3MBTL1 | |
| SCHEMBL9496114 | 0.94 | MCHR1 (0.49) | MCHR1ACACBCYP2D6CYP3A4KDM4E | |
| SCHEMBL9498264 | 0.93 | MCHR1 (0.48) | MCHR1ACACBCYP2D6CYP3A4KDM4E | |
| SCHEMBL9496727 | 0.91 | ALDH1A1 (0.48) | MCHR1ACACBCYP3A4KDM4ERAB9A | |
| SCHEMBL9497200 | 0.91 | MCHR1 (0.47) | MCHR1ACACBCYP3A4KDM4ERAB9A | |
| SCHEMBL9498020 | 0.91 | ALDH1A1 (0.48) | MCHR1ACACBCYP3A4KDM4ERAB9A | |
| SCHEMBL9497343 | 0.91 | ALDH1A1 (0.48) | MCHR1ACACBCYP3A4KDM4ERAB9A | |
| SCHEMBL9496699 | 0.91 | MCHR1 (0.47) | MCHR1ACACBCYP2D6CYP3A4KDM4E | |
| SCHEMBL9498195 | 0.91 | MCHR1 (0.47) | MCHR1ACACBCYP3A4KDM4ERAB9A |
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 |