Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 3/20 | 0.72 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.64 |
| ▸ | ALOX5 | P09917 | 7/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | MGAM | O43451 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | SI | P14410 | 2/20 | 0.45 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1006438 | 0.88 | MCL1 (0.59) | APPMCL1CA12CA1CA2 | |
| SCHEMBL1007616 | 0.88 | MCL1 (0.59) | APPMCL1CA12CA1CA2 | |
| SCHEMBL11037218 | 0.88 | MCL1 (0.64) | APPMCL1CA12CA1CA2 | |
| SCHEMBL30158721 | 0.88 | MCL1 (0.64) | APPMCL1CA12CA1CA2 | |
| SCHEMBL19173098 | 0.82 | MCL1 (0.58) | APPMCL1CA12CA1CA2 | |
| SCHEMBL5843910 | 0.82 | ALOX15 (0.57) | APPMCL1CA12CA1CA2 | |
| SCHEMBL29878592 | 0.82 | MCL1 (0.58) | APPMCL1CA12CA1CA2 | |
| SCHEMBL27697467 | 0.82 | APP (0.76) | APPMCL1ALOX5TRPA1BACE1 | |
| SCHEMBL28962661 | 0.81 | TP53 (0.61) | APPMCL1CA12CA1CA2 | |
| SCHEMBL9742749 | 0.81 | MCL1 (0.51) | APPMCL1CA12CA1CA2 |
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-109863146-A | Aryl-linking compound as immunomodulator | 百时美施贵宝公司 | 2019-06-07 | — | — | CN | disclosed |
| CN-109092278-A | A kind of method of photocatalysis hydrocarbon oxidation | 中国科学院大连化学物理研究所 | 2018-12-28 | — | — | CN | disclosed |
| CN-102775396-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-08 | — | — | CN | disclosed |
| WO-2013050938-A1 | 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-11 | — | — | WO | disclosed |