Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.40 |
| ▸ | CASP1 | P29466 | 6/20 | 0.40 |
| ▸ | CASP7 | P55210 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20043017 | 0.91 | ALDH1A1 (0.36) | ALDH1A1KDM4ECASP1CASP7HSD17B10 | |
| SCHEMBL20042753 | 0.91 | ALDH1A1 (0.36) | ALDH1A1KDM4ECASP1CASP7HSD17B10 | |
| SCHEMBL20042767 | 0.86 | TACR3 (0.44) | ALDH1A1P2RX7FASN | |
| SCHEMBL20042894 | 0.85 | GRM5 (0.40) | P2RX7 | |
| SCHEMBL20042843 | 0.85 | GRM5 (0.40) | P2RX7 | |
| SCHEMBL20042900 | 0.83 | TACR3 (0.38) | ALDH1A1P2RX7 | |
| SCHEMBL20042983 | 0.83 | GPR6 (0.39) | KDM4ETDP1P2RX7LMNATP53 | |
| SCHEMBL20042883 | 0.83 | GPR6 (0.39) | KDM4ETDP1P2RX7LMNATP53 | |
| SCHEMBL20043019 | 0.82 | POLB (0.34) | ALDH1A1KDM4ECASP1CASP7HSD17B10 | |
| SCHEMBL20042851 | 0.81 | P2RX7 (0.46) | ALDH1A1CASP1CASP7HSD17B10USP2 |
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-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |