Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12683789 | 0.87 | ALDH1A1 (0.39) | TP53ALDH1A1MAPTPDE10ANPSR1 | |
| SCHEMBL16689944 | 0.87 | PDE10A (0.37) | TP53ALDH1A1PDE10APDE4BPOLB | |
| SCHEMBL569045 | 0.74 | ALDH1A1 (0.46) | TP53ALDH1A1MAPTNPSR1POLB | |
| SCHEMBL15417974 | 0.73 | PDE4B (0.38) | PDE10APDE4BAKT1AKT2 | |
| SCHEMBL1699296 | 0.71 | PDE10A (0.41) | TP53ALDH1A1PDE10APDE4BPOLB | |
| SCHEMBL15418003 | 0.71 | PDE10A (0.39) | ALDH1A1MAPTPDE10APDE4BKMT2A | |
| SCHEMBL1699325 | 0.71 | PDE10A (0.42) | ALDH1A1PDE10APDE4BPOLBTSHR | |
| Water SCHEMBL15643684 | 0.70 | PDE10A (0.41) | TP53ALDH1A1PDE10APDE4BPOLB | |
| SCHEMBL16704934 | 0.69 | CTSD (0.38) | TP53ALDH1A1MAPTPDE10APDE4B | |
| SCHEMBL12683814 | 0.69 | EGFR (0.37) | ALDH1A1MAPTPDE10APDE4BPOLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2687529-B1 | CONDENSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-07-13 | — | — | EP | disclosed |
| US-9029388-B2 | Condensed heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| US-9029388-B2 | Condensed heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| US-9029388-B2 | Condensed heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| EP-2687529-A1 | CONDENSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2014-01-22 | — | — | EP | disclosed |