Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | MAOA | P21397 | 4/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | STK17B | O94768 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL7611787 | 0.82 | ALDH1A1 (1.00) | ALDH1A1MAOACES1BCHECYP1A2 | |
| SCHEMBL23790313 | 0.79 | ALDH1A1 (0.73) | ALDH1A1MAOACES1BCHECYP1A2 | |
| SCHEMBL14274025 | 0.75 | ALDH1A1 (0.68) | ALDH1A1MAOACES1BCHECYP1A2 | |
| Anthrone SCHEMBL28593418 | 0.73 | MAOA (0.86) | ALDH1A1MAOACES1BCHECYP1A2 | |
| SCHEMBL13356707 | 0.72 | ALDH1A1 (0.50) | ALDH1A1MAOACES1BCHECYP1A2 | |
| Anthrone SCHEMBL28186814 | 0.72 | MAOA (0.75) | ALDH1A1MAOACES1BCHECYP1A2 | |
| SCHEMBL4620995 | 0.70 | ALDH1A1 (0.61) | ALDH1A1MAOACES1BCHECYP1A2 | |
| Anthrone SCHEMBL18143 | 0.70 | MAOA (1.00) | ALDH1A1MAOACES1BCHECYP1A2 | |
| Anthrone SCHEMBL29357010 | 0.70 | MAOA (1.00) | ALDH1A1MAOACES1BCHECYP1A2 | |
| SCHEMBL2319027 | 0.70 | MAOA (0.90) | ALDH1A1MAOACES1BCHECYP1A2 |
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-109180645-B | NNN tridentate ligand with distal end hydroxyl and its preparation method and application, ruthenium complex | 西北大学 | 2019-07-09 | — | — | CN | disclosed |
| CN-109180645-A | NNN tridentate ligand with distal end hydroxyl and its preparation method and application, ruthenium complex | 西北大学 | 2019-01-11 | — | — | CN | disclosed |