Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MARS1 | P56192 | 2/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16054397 | 0.88 | KDM4E (0.62) | NPC1RAB9AKDM4ELMNATP53 | |
| SCHEMBL3940515 | 0.85 | CNR1 (0.47) | KDM4EMAPTCNR1FFAR4NFKB1 | |
| SCHEMBL13235717 | 0.84 | ALDH1A1 (0.52) | NPC1RAB9AKDM4ELMNATP53 | |
| SCHEMBL21102126 | 0.83 | MARS1 (0.43) | NPC1RAB9AKDM4ELMNATP53 | |
| SCHEMBL10754632 | 0.78 | LMNA (0.51) | NPC1RAB9AKDM4ELMNATP53 | |
| SCHEMBL10752739 | 0.78 | NPC1 (0.51) | NPC1RAB9AKDM4ELMNATP53 | |
| SCHEMBL10750814 | 0.78 | LMNA (0.51) | NPC1RAB9AKDM4ELMNATP53 | |
| SCHEMBL15994904 | 0.77 | KDM4E (0.50) | NPC1RAB9AKDM4ELMNATP53 | |
| SCHEMBL10752951 | 0.77 | ALDH1A1 (0.46) | NPC1RAB9AKDM4ELMNATP53 | |
| SCHEMBL14288599 | 0.77 | PTGS2 (0.47) | CYP3A4CNR1FFAR4ALDH1A1MARS1 |
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-4647579-A | Circulation active novel substituted 4-hydroxy-benzopyrans | BAYER AKTIENGESELLSCHAFT (DE) | 1987-03-03 | — | — | US | disclosed |