Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12326172 | 0.80 | PTGS2 (0.53) | KMOPTGS2PTGS1ALDH1A1HSD17B10 | |
| SCHEMBL28602221 | 0.79 | BRD4 (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL30729100 | 0.77 | NPC1 (0.51) | KMOPTGS2RAB9AMEN1KMT2A | |
| SCHEMBL27074766 | 0.77 | NPC1 (0.51) | KMOPTGS2RAB9AMEN1KMT2A | |
| SCHEMBL8195799 | 0.76 | KMO (0.49) | KMOPTGS2PTGS1SMN1; SMN2MEN1 | |
| SCHEMBL28919428 | 0.76 | ALDH1A1 (0.42) | KMOPTGS2PTGS1ALDH1A1MAPT | |
| SCHEMBL28601621 | 0.76 | KMT2A (0.44) | MEN1POLBKMT2A | |
| SCHEMBL6002654 | 0.73 | SMPD3 (0.56) | KMOALDH1A1MAPTADORA2AADORA1 | |
| SCHEMBL4454422 | 0.73 | AHR (0.56) | KMOPTGS2PTGS1ALDH1A1HSD17B10 | |
| SCHEMBL403698 | 0.72 | ADORA2A (0.55) | KMOPTGS2PTGS1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-113200983-A | Compound with pyrrolopyridine structure, preparation method and medical application | 中国药科大学 | 2021-08-03 | — | — | CN | disclosed |