Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 3/20 | 0.38 |
| ▸ | TYK2 | P29597 | 3/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16623509 | 0.92 | NPC1 (0.46) | NPC1RAB9ACNR2KCNQ3KCNQ2 | |
| SCHEMBL17849244 | 0.89 | TYK2 (0.40) | JAK2TYK2ALDH1A1EGFRLRRK2 | |
| SCHEMBL17849188 | 0.80 | EGFR (0.40) | NPC1RAB9AJAK2ALDH1A1DGAT1 | |
| SCHEMBL17849246 | 0.76 | PARP1 (0.34) | JAK2TYK2LRRK2 | |
| SCHEMBL17849222 | 0.75 | ALDH1A1 (0.36) | NPC1RAB9AGAATYK2ALDH1A1 | |
| SCHEMBL17849216 | 0.75 | AR (0.33) | NPC1RAB9AEGFRAKT1 | |
| SCHEMBL17849214 | 0.72 | TYK2 (0.38) | NPC1RAB9ATSHRJAK2TYK2 | |
| SCHEMBL17849247 | 0.72 | MAPT (0.41) | NPC1RAB9AGAAALDH1A1EGFR | |
| SCHEMBL16623493 | 0.71 | TYK2 (0.39) | JAK2TYK2 | |
| SCHEMBL17849249 | 0.71 | EGFR (0.40) | TSHRJAK2ALDH1A1EGFRHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |