Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CETP | P11597 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL27931243 | 0.91 | ABCG2 (0.60) | MAPTKDM4EABCG2CYP1A2DHFR | |
| SCHEMBL28809002 | 0.87 | CNR2 (0.48) | MAPTKDM4ENPSR1NPC1RAB9A | |
| SCHEMBL27947630 | 0.85 | HTR3A (0.57) | MAPTKDM4ENPC1RAB9AABCG2 | |
| SCHEMBL27931159 | 0.85 | MAPT (0.50) | MAPTKDM4ENPC1RAB9ACYP1A2 | |
| SCHEMBL27947585 | 0.85 | SIRT1 (0.56) | MAPTKDM4ENPC1RAB9AABCG2 | |
| SCHEMBL27947590 | 0.81 | ABCG2 (0.47) | MAPTNPSR1ABCG2CYP1A2DHFR | |
| SCHEMBL27947606 | 0.77 | BACE1 (0.51) | MAPTNPC1RAB9ACYP1A2 | |
| SCHEMBL28110410 | 0.77 | CYP1A2 (0.58) | MAPTNPC1RAB9AABCG2CYP1A2 | |
| SCHEMBL4846588 | 0.75 | CYP1A2 (0.63) | MAPTKDM4ENPC1RAB9AABCG2 | |
| SCHEMBL29593137 | 0.75 | CYP1A2 (0.63) | MAPTKDM4ENPC1RAB9AABCG2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103459382-A | Heterocyclic compounds for the inhibition of pask | BIOENERGENIX LLC | 2013-12-18 | — | — | CN | claimed |