Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.76 |
| ▸ | MAPT | P10636 | 4/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.76 |
| ▸ | MEN1 | O00255 | 3/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.76 |
| ▸ | LMNA | P02545 | 2/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.76 |
| ▸ | HPGD | P15428 | 3/20 | 0.71 |
| ▸ | ACHE | P22303 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | MIF | P14174 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.51 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.48 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5604224 | 1.00 | ALDH1A1 (0.76) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL5604228 | 1.00 | ALDH1A1 (0.76) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL28138472 | 0.81 | KDM4E (0.62) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL10236326 | 0.78 | KDM4E (0.60) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL28138476 | 0.77 | ACHE (0.62) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL8171751 | 0.75 | MAPT (0.61) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL9402446 | 0.75 | MAPT (0.61) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL9402452 | 0.75 | MAPT (0.61) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL6084960 | 0.74 | KDM4E (0.50) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL6084953 | 0.74 | KDM4E (0.50) | ALDH1A1MAPTKDM4EMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106890174-A | Small molecule heterocyclic compound based on curcumin structure and its application for preparing antineoplastic | 河南工业大学 | 2017-06-27 | — | — | CN | disclosed |
| WO-2007072089-A1 | MGLUR5 ANTAGONISTIC CARBAMOYL-OXIME DERIVATIVES | RICHTER GEDEON VEGYÉSZETU GYÁR RT. (HU) | 2007-06-28 | — | — | WO | disclosed |