Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | CCNK | O75909 | 1/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2598490 | 1.00 | ALDH1A1 (0.36) | ALDH1A1NPSR1TMEM97SIGMAR1CCNK | |
| SCHEMBL2598466 | 1.00 | ALDH1A1 (0.36) | ALDH1A1NPSR1TMEM97SIGMAR1CCNK | |
| SCHEMBL1359457 | 0.76 | ALDH1A1 (0.43) | ALDH1A1NPSR1TMEM97SIGMAR1CCNK | |
| SCHEMBL1359447 | 0.76 | ALDH1A1 (0.43) | ALDH1A1NPSR1TMEM97SIGMAR1CCNK | |
| SCHEMBL1359454 | 0.76 | ALDH1A1 (0.43) | ALDH1A1NPSR1TMEM97SIGMAR1CCNK | |
| SCHEMBL2598371 | 0.75 | CYP1A2 (0.39) | ALDH1A1HSD17B10KDM4EHPGDMEN1 | |
| SCHEMBL2596945 | 0.74 | ALDH1A1 (0.38) | ALDH1A1NPSR1TMEM97SIGMAR1CCNK | |
| SCHEMBL2596946 | 0.74 | ALDH1A1 (0.38) | ALDH1A1NPSR1TMEM97SIGMAR1CCNK | |
| SCHEMBL2598448 | 0.71 | TGFBR1 (0.40) | ALDH1A1CCNKCDK12KDM4EBLM | |
| SCHEMBL2598467 | 0.69 | ADORA3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011146287-A1 | PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-24 | — | — | WO | disclosed |