Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2973467 | 0.94 | NPC1 (0.39) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL4633204 | 0.84 | NPC1 (0.48) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL2970741 | 0.83 | TSHR (0.42) | TYMPTSHRLMNAKDM4ETHRB | |
| SCHEMBL28158365 | 0.75 | HTT (0.42) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL5693675 | 0.75 | KDM4E (0.31) | HPGDTYMPKDM4E | |
| SCHEMBL5679424 | 0.74 | TSHR (0.50) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL17008157 | 0.71 | TSHR (0.57) | TYMPTSHRLMNAKDM4ETHRB | |
| SCHEMBL27605277 | 0.71 | TYR (0.42) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL268313 | 0.71 | HPGD (0.50) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL5586620 | 0.71 | HPGD (0.50) | NPC1HPGDMAPK1HTTRAB9A |
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-2017135897-A1 | A CATALYST FOR THE CARBONYLATION OF ALKENES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-08-10 | — | — | WO | disclosed |