Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9500956 | 0.97 | MCHR1 (0.50) | MCHR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL9496054 | 0.91 | MCHR1 (0.50) | MCHR1ACACB | |
| SCHEMBL9498195 | 0.90 | MCHR1 (0.47) | MCHR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL9497200 | 0.90 | MCHR1 (0.47) | MCHR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL9500532 | 0.90 | MCHR1 (0.47) | MCHR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL9498090 | 0.89 | KDM4E (0.52) | MCHR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL9497517 | 0.89 | ALDH1A1 (0.47) | MCHR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL9499457 | 0.89 | ALDH1A1 (0.47) | MCHR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL9496079 | 0.89 | ALDH1A1 (0.47) | MCHR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL9498264 | 0.88 | MCHR1 (0.48) | MCHR1KDM4EALDH1A1HPGDHTT |
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 |