Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14280772 | 0.94 | CYP1A2 (0.40) | CYP1A2ALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL7173133 | 0.93 | CYP1A2 (0.39) | CYP1A2ALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL7181723 | 0.92 | CYP1A2 (0.38) | CYP1A2ALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL7173206 | 0.92 | CYP1A2 (0.38) | CYP1A2ALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL7176738 | 0.92 | CYP1A2 (0.38) | CYP1A2ALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL7178113 | 0.92 | CYP1A2 (0.38) | CYP1A2ALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL7176573 | 0.92 | CYP1A2 (0.38) | CYP1A2ALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL7175522 | 0.92 | CYP1A2 (0.38) | CYP1A2ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL5606108 | 0.89 | CYP1A2 (0.40) | CYP1A2ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL4535319 | 0.88 | CYP1A2 (0.40) | CYP1A2ALDH1A1LMNAIRAK4MAPT |
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-114149471-B | Transition metal complex and preparation method and application thereof | 中国科学院化学研究所 | 2024-07-23 | — | — | CN | disclosed |
| CN-114149471-A | Transition metal complex and preparation method and application thereof | 中国科学院化学研究所 | 2022-03-08 | — | — | CN | disclosed |