Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 5/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7332254 | 0.83 | TAAR1 (0.54) | POLBTAAR1TDP1NPC1RAB9A | |
| SCHEMBL6197785 | 0.82 | TAAR1 (0.52) | POLBTAAR1TDP1NPC1RAB9A | |
| SCHEMBL654985 | 0.82 | POLB (0.66) | POLBTAAR1TDP1NPC1RAB9A | |
| SCHEMBL24890481 | 0.80 | POLB (0.50) | POLBTAAR1TDP1NPC1RAB9A | |
| SCHEMBL1477454 | 0.80 | POLB (0.62) | POLBTAAR1TDP1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL9699973 | 0.80 | POLB (0.64) | POLBTAAR1TDP1NPC1RAB9A | |
| SCHEMBL24890477 | 0.80 | POLB (0.50) | POLBTAAR1TDP1NPC1RAB9A | |
| SCHEMBL655421 | 0.80 | POLB (0.50) | POLBTAAR1TDP1NPC1RAB9A | |
| SCHEMBL4232556 | 0.80 | POLB (0.50) | POLBTAAR1TDP1NPC1RAB9A | |
| SCHEMBL29389579 | 0.78 | POLB (0.49) | POLBTAAR1TDP1NPC1RAB9A |
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-106631740-B | A kind of amyl- 2- ketenes -4- alcoholic compound of the ring of high cis-selectivity and preparation method thereof | 浙江大学 | 2019-07-02 | — | — | CN | disclosed |
| CN-106631740-A | High-diastereoselectivity cyclophentyl-2-ketene-4-alcohol compound and preparation method thereof | 浙江大学 | 2017-05-10 | — | — | CN | disclosed |