Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | PKM | P14618 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1133747 | 1.00 | ALDH1A1 (0.40) | ALDH1A1PKML3MBTL1HTTLMNA | |
| SCHEMBL13370728 | 0.86 | ALDH1A1 (0.41) | ALDH1A1PKML3MBTL1HTTLMNA | |
| SCHEMBL27651626 | 0.83 | ALDH1A1 (0.41) | ALDH1A1PKML3MBTL1HTTLMNA | |
| SCHEMBL27641755 | 0.80 | ALDH1A1 (0.41) | ALDH1A1PKML3MBTL1HTTLMNA | |
| SCHEMBL8701139 | 0.80 | PKM (0.38) | ALDH1A1PKML3MBTL1HTTLMNA | |
| SCHEMBL3559527 | 0.76 | — | — | |
| SCHEMBL5086027 | 0.76 | — | — | |
| SCHEMBL27852103 | 0.75 | ALDH1A1 (0.43) | ALDH1A1PKML3MBTL1HTTLMNA | |
| SCHEMBL27478065 | 0.75 | ALDH1A1 (0.43) | ALDH1A1PKML3MBTL1HTTLMNA | |
| SCHEMBL27585045 | 0.74 | PKM (0.39) | ALDH1A1PKML3MBTL1HTTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1780823-A | Heteroaromatic pentacyclic compound and medicinal use thereof | JAPAN TOBACCO INC (JP) | 2006-05-31 | — | — | CN | claimed |
| CN-1780823-A | Heteroaromatic pentacyclic compound and medicinal use thereof | JAPAN TOBACCO INC (JP) | 2006-05-31 | — | — | CN | disclosed |