Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.70 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL16438566 | 0.85 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9AGAALMNA | |
| SCHEMBL18415466 | 0.82 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9AGAALMNA | |
| SCHEMBL28472225 | 0.82 | KCNMA1 (0.65) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL17206120 | 0.81 | HSD17B1 (0.55) | ALDH1A1GAALMNAPOLBKDM4E | |
| SCHEMBL6307904 | 0.81 | MAPT (0.66) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL6439095 | 0.80 | ALDH1A1 (0.70) | ALDH1A1NPC1RAB9AGAALMNA | |
| SCHEMBL1825853 | 0.79 | NPC1 (0.70) | ALDH1A1NPC1RAB9AGAALMNA | |
| SCHEMBL28201164 | 0.77 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9AGAALMNA | |
| SCHEMBL6677635 | 0.75 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9AGAALMNA | |
| SCHEMBL10062017 | 0.75 | NPC1 (1.00) | ALDH1A1NPC1RAB9AGAALMNA |
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-107790186-B | Novel decamethyl cyclopentadienyl zirconium complex and preparation method and application thereof | 山西医科大学 | 2020-10-30 | — | — | CN | disclosed |
| CN-107790186-A | A kind of new decamethyl Zirconocenes and its preparation method and application | 山西医科大学 | 2018-03-13 | — | — | CN | disclosed |