Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | LSS | P48449 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440536 | 0.88 | KDM4E (0.55) | HRH3LSSALDH1A1CHEK1MCHR1 | |
| SCHEMBL12441452 | 0.87 | KDM4E (0.58) | HRH3LSSALDH1A1CHEK1MCHR1 | |
| SCHEMBL19291923 | 0.82 | SRC (0.52) | HRH3MEN1KMT2ANPC1RAB9A | |
| SCHEMBL4518384 | 0.79 | MCHR1 (0.53) | HRH3MEN1KMT2AUSP2TSHR | |
| SCHEMBL12440554 | 0.79 | CHKA (0.47) | HRH3LSSALDH1A1MCHR1KDM4E | |
| SCHEMBL12441111 | 0.79 | LSS (0.41) | HRH3LSSACHEMCHR1SLC2A1 | |
| 4-(4-Chlorobenzyl)Morpholine SCHEMBL4103722 | 0.78 | HRH3 (0.74) | HRH3MEN1KMT2AUSP2TSHR | |
| SCHEMBL12440425 | 0.75 | MCHR1 (0.58) | HRH3ALDH1A1CHEK1ACHEMCHR1 | |
| SCHEMBL12440218 | 0.75 | MCHR1 (0.45) | HRH3NPSR1LSSALDH1A1MCHR1 | |
| SCHEMBL12441461 | 0.74 | MCHR1 (0.57) | HRH3TSHRCHEK1MCHR1 |
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-2357173-A1 | New alkyne compounds with MCH-antagonistic activity and medicaments containing them | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2011-08-17 | — | — | EP | disclosed |