Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28714521 | 0.85 | HTT (0.43) | ALDH1A1KMT2AHTTCYP1A2CYP2C9 | |
| SCHEMBL28442535 | 0.81 | P2RX7 (0.44) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL25382278 | 0.80 | NOTUM (0.39) | ALDH1A1PTGS1PTGS2SCN5ATP53 | |
| SCHEMBL28003186 | 0.78 | NR1I2 (0.48) | ALDH1A1KMT2AMEN1PTGS1PTGS2 | |
| SCHEMBL3967152 | 0.78 | L3MBTL1 (0.50) | ALDH1A1KMT2AHTTCYP1A2CYP2C9 | |
| SCHEMBL28354722 | 0.77 | NOTUM (0.42) | ALDH1A1KMT2AMEN1PTGS2CYP19A1 | |
| SCHEMBL8149329 | 0.77 | PTGS2 (0.42) | ALDH1A1KDM4EHPGDHTTPTGS1 | |
| SCHEMBL10902105 | 0.76 | CYP3A4 (0.66) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL8511275 | 0.75 | HTT (0.45) | ALDH1A1KMT2AHTTPTGS1PTGS2 | |
| SCHEMBL17844189 | 0.75 | MAPT (0.50) | ALDH1A1KMT2AMEN1HTTCYP1A2 |
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-1660816-A | Method for synthesizing 2-perfluoroalkyl group substituted ramification of imidazole | UNIV SHANGHAI (CN) | 2005-08-31 | — | — | CN | disclosed |
| WO-1996003387-A1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |