Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | CASP1 | P29466 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187608 | 0.87 | ALDH1A1 (0.57) | ALDH1A1NPC1POLBRAB9ATP53 | |
| SCHEMBL13854898 | 0.87 | ALDH1A1 (0.57) | ALDH1A1NPC1POLBRAB9ATP53 | |
| SCHEMBL20062355 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPC1POLBRAB9ATP53 | |
| SCHEMBL732391 | 0.77 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9ATP53CASP1 | |
| SCHEMBL21187676 | 0.74 | HSD17B10 (0.34) | ALDH1A1TP53CASP1TSHRCASP7 | |
| SCHEMBL21187699 | 0.74 | TLR8 (0.38) | ALDH1A1NPC1RAB9ATP53CASP1 | |
| SCHEMBL30030689 | 0.74 | ALDH1A1 (0.58) | ALDH1A1NPC1POLBRAB9ATP53 | |
| SCHEMBL22798938 | 0.74 | NPC1 (0.38) | ALDH1A1NPC1POLBRAB9ATP53 | |
| SCHEMBL21187656 | 0.73 | ALDH1A1 (0.51) | ALDH1A1NPC1TP53CASP1TSHR | |
| SCHEMBL2512112 | 0.72 | PTPRC (0.42) | MAPK1HTTSMN1; SMN2CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-20190228843-A1 | Molecule-Based Equation Oriented Reactor Simulation System And Its Model Reduction | JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT | 2019-07-25 | — | — | US | disclosed |