Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 3/20 | 0.46 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 2/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | GRK6 | P43250 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8912951 | 0.86 | JAK3 (0.40) | DCLRE1BDHODHMAP2K4PIN1KMO | |
| SCHEMBL27717172 | 0.84 | ACMSD (0.50) | DCLRE1BDHODHMAP2K4KMOKDM4E | |
| SCHEMBL415485 | 0.82 | KDM4E (0.55) | MAP2K4NR4A2KDM4ESMN1; SMN2 | |
| SCHEMBL19663966 | 0.82 | AKR1C2 (0.47) | DHODHPIN1KMONR4A2NOTUM | |
| SCHEMBL3519078 | 0.82 | MCL1 (0.51) | MAP2K4CSNK2A2CSNK2BKDM4E | |
| SCHEMBL15750438 | 0.81 | CA12 (0.45) | DHODHMAP2K4NOTUMKDM4E | |
| Ethylene SCHEMBL27448159 | 0.79 | KDM4E (0.51) | MAP2K4NR4A2KDM4ESMN1; SMN2 | |
| SCHEMBL25347360 | 0.77 | TDP1 (0.59) | GRK6IDO1SMN1; SMN2 | |
| SCHEMBL23294452 | 0.77 | KMO (0.47) | DHODHKMOIDO1 | |
| SCHEMBL8912952 | 0.76 | TDO2 (0.46) | MAP2K4PIN1 |
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-107903251-A | Pyrazole formylamine derivate as the TAAR conditioning agents for treating several conditions such as depression, diabetes and Parkinson's | 霍夫曼-拉罗奇有限公司 | 2018-04-13 | — | — | CN | disclosed |