Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17849197 | 0.91 | ALDH1A1 (0.38) | SMN1; SMN2NPC1HPGDRAB9ATSHR | |
| SCHEMBL16623587 | 0.89 | ROCK1 (0.39) | SMN1; SMN2NPC1HPGDRAB9AALOX15 | |
| SCHEMBL17849203 | 0.86 | ROCK1 (0.40) | NPC1HPGDRAB9AALOX15MAPK1 | |
| SCHEMBL17849189 | 0.83 | RAB9A (0.45) | SMN1; SMN2NPC1HPGDRAB9ATP53 | |
| SCHEMBL17849219 | 0.80 | RAF1 (0.42) | SMN1; SMN2NPC1HPGDRAB9AALOX15 | |
| SCHEMBL17849217 | 0.80 | DGAT1 (0.33) | MAPK1ALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL17849200 | 0.79 | CYP2A13 (0.39) | SMN1; SMN2NPC1RAB9ATP53ALDH1A1 | |
| SCHEMBL17849207 | 0.79 | ROCK1 (0.39) | NPC1HPGDRAB9AALOX15MAPK1 | |
| SCHEMBL17849192 | 0.78 | RIPK1 (0.37) | SMN1; SMN2HPGDRAB9ATSHRKDM4E | |
| SCHEMBL17849205 | 0.78 | DGAT1 (0.32) | ALDH1A1L3MBTL1MAPK7 |
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 |