Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22275730 | 0.94 | ALDH1A1 (0.51) | ALDH1A1CYP2C19KMT2ALMNATSHR | |
| SCHEMBL22263183 | 0.83 | ALDH1A1 (0.53) | ALDH1A1CYP2C19KMT2ALMNATSHR | |
| SCHEMBL22275736 | 0.82 | CYP1A2 (0.50) | KMT2ACYP1A2CYP2D6GAASIGMAR1 | |
| SCHEMBL20932774 | 0.81 | CYP1A2 (0.48) | KMT2ALMNATSHRCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL22263121 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP2C19KMT2ALMNATSHR | |
| SCHEMBL22262985 | 0.80 | GPR84 (0.38) | ALDH1A1CYP2C19KMT2ALMNATSHR | |
| SCHEMBL22263146 | 0.80 | SIGMAR1 (0.49) | GAATAAR1SIGMAR1 | |
| SCHEMBL22263120 | 0.80 | DAO (0.42) | ALDH1A1CYP2C19RAB9ASIGMAR1MAOB | |
| SCHEMBL20920797 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP2C19KMT2ALMNATSHR | |
| SCHEMBL22275639 | 0.79 | ALDH1A1 (0.49) | ALDH1A1CYP2C19KMT2ALMNATSHR |
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-2019078246-A1 | IDO/TDO INHIBITOR | 一般社団法人ファルマバレープロジェクト支援機構 | 2019-04-25 | — | — | WO | disclosed |