Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 6/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042897 | 0.91 | ALDH1A1 (0.40) | ALDH1A1KDM4EMEN1KMT2AMAPK1 | |
| SCHEMBL20043017 | 0.89 | ALDH1A1 (0.36) | ALDH1A1KDM4EMEN1KMT2AMAPK1 | |
| SCHEMBL20042900 | 0.88 | TACR3 (0.38) | ALDH1A1TACR3KCNH2TACR2P2RX7 | |
| SCHEMBL20042852 | 0.86 | TACR3 (0.47) | TACR3KCNH2TACR2P2RX7TACR1 | |
| SCHEMBL20042767 | 0.85 | TACR3 (0.44) | ALDH1A1TACR3KCNH2GRM5P2RX7 | |
| SCHEMBL20042727 | 0.84 | TACR3 (0.47) | TACR3KCNH2TACR2P2RX7TACR1 | |
| SCHEMBL20042878 | 0.84 | TACR3 (0.47) | TACR3KCNH2TACR2P2RX7TACR1 | |
| SCHEMBL20042958 | 0.83 | TACR3 (0.42) | TACR3KCNH2TACR2 | |
| SCHEMBL20042865 | 0.83 | TACR3 (0.42) | TACR3KCNH2TACR2 | |
| SCHEMBL20042843 | 0.83 | GRM5 (0.40) | GRM5P2RX7 |
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 |