Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 5/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14775218 | 0.92 | CYP1A2 (0.46) | MMP8MEN1KMT2ACYP1A2TSHR | |
| SCHEMBL4306985 | 0.85 | ALDH1A1 (0.44) | NPC1RAB9ACTRB1MMP8MEN1 | |
| SCHEMBL14775221 | 0.85 | CYP1A2 (0.46) | MMP8MEN1KMT2ACYP1A2TSHR | |
| SCHEMBL10658684 | 0.78 | NPC1 (0.55) | NPC1RAB9ACTRB1MEN1KMT2A | |
| SCHEMBL534745 | 0.75 | MAOB (0.46) | CYP1A2CYP3A4CYP2D6TSHRCPA1 | |
| SCHEMBL29652015 | 0.74 | MEN1 (0.59) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL20489214 | 0.73 | MAOB (0.45) | CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL4311358 | 0.73 | EPHX1 (0.43) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4306413 | 0.72 | MAOB (0.41) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20488797 | 0.72 | MAOB (0.43) | CYP1A2CYP3A4CYP2D6TSHRCPA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7629085-B2 | sulfur-containing acid ester and an alkyne-containing compound; excellent battery characteristics in cycle performance, electric capacity and storage property; e.g. 2-propynyl methyl carbonate and 1,3-propanesultone | UBE INDUSTRIES, LTD. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20070231707-A1 | Nonaqueous Electrolytic Solution and Lithium Secondary Battery | MU IONIC SOLUTIONS CORPORATION (JP) | 2007-10-04 | — | — | US | disclosed |
| EP-1772924-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY | Ube Industries, Ltd. (JP) | 2007-04-11 | — | — | EP | disclosed |