Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.59 |
| ▸ | HPGD | P15428 | 8/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.59 |
| ▸ | MAPT | P10636 | 7/20 | 0.59 |
| ▸ | TSHR | P16473 | 5/20 | 0.59 |
| ▸ | PKM | P14618 | 5/20 | 0.59 |
| ▸ | TP53 | P04637 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.59 |
| ▸ | RELA | Q04206 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4622963 | 0.81 | ALDH1A1 (0.70) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL13476765 | 0.75 | NPC1 (0.48) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL9611670 | 0.75 | ATM (0.77) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL20370636 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL4776333 | 0.72 | KDM4E (0.47) | ALDH1A1KDM4EMAPTTP53NPC1 | |
| SCHEMBL13515552 | 0.71 | ATM (0.49) | MAPTTP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13053024 | 0.69 | MEN1 (0.46) | ALDH1A1KDM4EMAPTTSHRPKM | |
| SCHEMBL9212879 | 0.68 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL16332981 | 0.68 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL19233684 | 0.67 | NTRK1 (0.42) | KDM4EATMMEN1KMT2APOLB |
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-2010021381-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2010-02-25 | — | — | WO | disclosed |