Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | JUN | P05412 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Methyl Benzoate SCHEMBL30968567 | 0.85 | ALDH1A1 (0.56) | TSHRNPC1RAB9AMAPTKDM4E | |
| SCHEMBL22397881 | 0.82 | MAPT (0.62) | NPC1RAB9AMAPTLMNAHTT | |
| SCHEMBL22397883 | 0.82 | MAPT (0.62) | NPC1RAB9AMAPTLMNAHTT | |
| SCHEMBL5717702 | 0.80 | JUN (0.69) | NPC1RAB9AMAPTKDM4EJUN | |
| SCHEMBL2817704 | 0.80 | JUN (0.69) | NPC1RAB9AMAPTKDM4EJUN | |
| SCHEMBL2817703 | 0.80 | JUN (0.69) | NPC1RAB9AMAPTKDM4EJUN | |
| SCHEMBL7975552 | 0.79 | KDM1A (0.64) | NPC1RAB9AMAPTKDM4EJUN | |
| SCHEMBL7981695 | 0.79 | KDM1A (0.64) | NPC1RAB9AMAPTKDM4EJUN | |
| SCHEMBL7975551 | 0.79 | KDM1A (0.64) | NPC1RAB9AMAPTKDM4EJUN | |
| (Z)-1,2-Diphenylethene SCHEMBL1604067 | 0.77 | TSHR (0.76) | TSHRNPC1RAB9AMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-118108664-A | NAMPT agonist and preparation method and application thereof | 中国人民解放军海军军医大学 | 2024-05-31 | — | — | CN | disclosed |