Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MALT1 | Q9UDY8 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.41 |
| ▸ | BCL6 | P41182 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 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 | |
|---|---|---|---|---|
| SCHEMBL6880492 | 1.00 | TP53 (0.45) | TP53ALDH1A1HPGDMAPTLMNA | |
| SCHEMBL6458641 | 0.92 | SMN1; SMN2 (0.47) | TP53ALDH1A1MAPTLMNANPSR1 | |
| SCHEMBL6458645 | 0.92 | SMN1; SMN2 (0.47) | TP53ALDH1A1MAPTLMNANPSR1 | |
| SCHEMBL6867531 | 0.90 | MCHR1 (0.49) | ALDH1A1MAPTNPC1TSHRHTT | |
| SCHEMBL6867526 | 0.90 | MCHR1 (0.49) | ALDH1A1MAPTNPC1TSHRHTT | |
| SCHEMBL6873496 | 0.90 | NPC1 (0.57) | ALDH1A1NPC1TSHRHTTRAB9A | |
| SCHEMBL6873499 | 0.90 | NPC1 (0.57) | ALDH1A1NPC1TSHRHTTRAB9A | |
| SCHEMBL6878062 | 0.88 | MEN1 (0.58) | ALDH1A1MAPTLMNANPC1TSHR | |
| SCHEMBL6872085 | 0.88 | KMT2A (0.43) | TP53ALDH1A1MAPTLMNATSHR | |
| SCHEMBL6878058 | 0.88 | MEN1 (0.58) | ALDH1A1MAPTLMNANPC1TSHR |
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 |