Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL27403615 | 0.88 | HPRT1 (0.50) | ALDH1A1CYP1A2LCKFYNADORA3 | |
| SCHEMBL27740850 | 0.87 | HPRT1 (0.54) | ALDH1A1CYP1A2LCKFYNADORA3 | |
| SCHEMBL28077721 | 0.87 | HPRT1 (0.54) | ALDH1A1CYP1A2LCKFYNADORA3 | |
| SCHEMBL21176632 | 0.87 | HPRT1 (0.54) | ALDH1A1CYP1A2LCKFYNADORA3 | |
| SCHEMBL30928215 | 0.87 | HPRT1 (0.54) | ALDH1A1CYP1A2LCKFYNADORA3 | |
| SCHEMBL2089665 | 0.87 | HPRT1 (0.54) | ALDH1A1CYP1A2LCKFYNADORA3 | |
| Chrysene SCHEMBL27616409 | 0.87 | HPRT1 (0.54) | ALDH1A1CYP1A2LCKFYNADORA3 | |
| Phenanthrene SCHEMBL27372954 | 0.87 | HPRT1 (0.54) | ALDH1A1CYP1A2LCKFYNADORA3 | |
| SCHEMBL31490440 | 0.86 | HPRT1 (0.52) | ALDH1A1CYP1A2LCKFYNADORA3 | |
| SCHEMBL30329691 | 0.86 | HPRT1 (0.52) | ALDH1A1CYP1A2LCKFYNADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108395361-A | A kind of clean fuel gas propellant and preparation method thereof | 湖北航天化学技术研究所 | 2018-08-14 | — | — | CN | claimed |
| CN-110464724-A | The method for treating autoimmunity, breathing and/or inflammatory conditions by sucking N-oxide of roflumilast | INCOZEN THERAPEUTICS PVT LTD | 2019-11-19 | — | — | CN | disclosed |
| CN-110403922-A | The method for treating autoimmunity, breathing and/or inflammatory conditions by sucking N-oxide of roflumilast | INCOZEN THERAPEUTICS PVT LTD | 2019-11-05 | — | — | CN | disclosed |