Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.37 |
| ▸ | JAK1 | P23458 | 8/20 | 0.36 |
| ▸ | JAK2 | O60674 | 6/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | ATIC | P31939 | 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 | |
|---|---|---|---|---|
| SCHEMBL17849198 | 0.87 | GRM5 (0.38) | NPC1RAB9AJAK1JAK2KMT2A | |
| SCHEMBL16623555 | 0.86 | JAK1 (0.38) | NPC1RAB9AEPHX1JAK1JAK2 | |
| SCHEMBL16623572 | 0.86 | BRD4 (0.35) | NPC1RAB9AJAK1JAK2MEN1 | |
| SCHEMBL20246309 | 0.85 | EPHX1 (0.47) | NPC1RAB9AEPHX2EPHX1JAK1 | |
| SCHEMBL16623464 | 0.85 | JAK1 (0.38) | JAK1JAK2BRD4JAK3 | |
| SCHEMBL16726651 | 0.85 | NPC1 (0.41) | NPC1RAB9AEPHX2EPHX1JAK1 | |
| SCHEMBL16623528 | 0.85 | RAB9A (0.41) | NPC1RAB9AEPHX2EPHX1JAK1 | |
| SCHEMBL16623521 | 0.84 | JAK1 (0.39) | NPC1RAB9AJAK1JAK2JAK3 | |
| SCHEMBL16623524 | 0.84 | JAK1 (0.37) | JAK1JAK2BRD4JAK3 | |
| SCHEMBL16623542 | 0.84 | JAK1 (0.39) | JAK1JAK2BRD4 |
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 |