Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6876181 | 1.00 | SIGMAR1 (0.50) | SIGMAR1ACHENPC1RAB9APKM | |
| SCHEMBL6874385 | 0.91 | SIGMAR1 (0.49) | SIGMAR1ACHEALDH1A1LMNACTSD | |
| SCHEMBL6874375 | 0.91 | SIGMAR1 (0.49) | SIGMAR1ACHEALDH1A1LMNACTSD | |
| SCHEMBL6459478 | 0.85 | SMPD1 (0.52) | ALDH1A1LMNA | |
| SCHEMBL6459485 | 0.85 | SMPD1 (0.52) | ALDH1A1LMNA | |
| SCHEMBL6874037 | 0.85 | AURKA (0.50) | SIGMAR1ALDH1A1KMT2AMEN1 | |
| SCHEMBL6874044 | 0.85 | AURKA (0.50) | SIGMAR1ALDH1A1KMT2AMEN1 | |
| SCHEMBL6875736 | 0.84 | AURKB (0.43) | SIGMAR1ACHEKMT2AMEN1L3MBTL1 | |
| SCHEMBL6875725 | 0.84 | AURKB (0.43) | SIGMAR1ACHEKMT2AMEN1L3MBTL1 | |
| SCHEMBL13793213 | 0.84 | MCHR1 (0.58) | SIGMAR1ACHENPC1RAB9APKM |
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-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |