Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28509755 | 0.84 | GABRA1 (0.46) | GABRA1GABRB2TSHRCYP2D6CYP3A4 | |
| SCHEMBL10721566 | 0.84 | GABRA1 (0.46) | GABRA1GABRB2TSHRCYP2D6CYP3A4 | |
| SCHEMBL9463585 | 0.84 | P2RX7 (0.37) | GABRA1GABRB2TSHRCYP3A4SLC6A2 | |
| SCHEMBL545484 | 0.81 | GABRA1 (0.46) | GABRA1GABRB2TSHRCYP3A4SLC6A2 | |
| SCHEMBL6546540 | 0.81 | GABRA1 (0.42) | GABRA1GABRB2TSHRCYP2D6CYP3A4 | |
| SCHEMBL29657207 | 0.81 | GABRA1 (0.46) | GABRA1GABRB2TSHRCYP3A4SLC6A2 | |
| SCHEMBL19682805 | 0.81 | GABRA1 (0.45) | GABRA1GABRB2TSHRCYP3A4SLC6A2 | |
| SCHEMBL11265054 | 0.80 | P2RX7 (0.39) | GABRA1GABRB2TSHRCYP2D6SLC6A2 | |
| SCHEMBL11262186 | 0.80 | GABRA1 (0.43) | GABRA1GABRB2TSHRCYP3A4SLC6A2 | |
| SCHEMBL18243719 | 0.80 | GABRA1 (0.43) | GABRA1GABRB2TSHRCYP2D6CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102241572-B | Preparation method and application of aromatic cyclopropyl butanone compound | ZHEJIANG JIUZHOU PHARM CO LTD | 2014-07-16 | — | — | CN | disclosed |
| CN-102241572-A | Preparation method and application of aromatic cyclopropyl butanone compound | ZHEJIANG JIUZHOU PHARM CO LTD | 2011-11-16 | — | — | CN | disclosed |
| CN-101151249-B | Cyclopentapyridine and tetrahydroquinoline derivatives | PFIZER PRODUCTS INC. (US) | 2011-04-06 | — | — | CN | disclosed |
| CN-101151249-A | Cyclopentapyridine and tetrahydroquinoline derivatives | PFIZER (US) | 2008-03-26 | — | — | CN | disclosed |