Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19783627 | 1.00 | ALDH1A1 (0.40) | ALDH1A1KMT2ATSHRGAAMAPK1 | |
| SCHEMBL19783639 | 0.86 | CYP3A4 (0.43) | ALDH1A1KMT2ATSHRGAAMAPK1 | |
| SCHEMBL30189666 | 0.86 | CYP3A4 (0.43) | ALDH1A1KMT2ATSHRGAAMAPK1 | |
| SCHEMBL21395444 | 0.80 | CYP3A4 (0.39) | ALDH1A1KMT2ATSHRGAAMAPK1 | |
| SCHEMBL19783618 | 0.76 | MEN1 (0.39) | ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1 | |
| SCHEMBL30189762 | 0.76 | MEN1 (0.39) | ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1 | |
| SCHEMBL19783511 | 0.75 | KMT2A (0.38) | ALDH1A1KMT2AMEN1POLBF2RL3 | |
| SCHEMBL19783475 | 0.72 | KMT2A (0.36) | ALDH1A1KMT2AADRA2AADRA1AF2RL3 | |
| SCHEMBL21395379 | 0.72 | GAA (0.42) | ALDH1A1KMT2ATSHRGAAMAPK1 | |
| SCHEMBL21396119 | 0.71 | ALDH1A1 (0.36) | ALDH1A1KMT2ANPC1RAB9AKDM4E |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |