Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL3852706 | 0.83 | AKR1B1 (0.55) | AKR1B1TDP1NR1H4PTGS2RXRA | |
| SCHEMBL28959752 | 0.83 | NPSR1 (0.45) | NR1H4CA2RXRARXRB | |
| SCHEMBL7792855 | 0.82 | CA2 (0.55) | AKR1B1TDP1NR1H4CA2PTGS2 | |
| SCHEMBL20844639 | 0.81 | AKR1B1 (0.52) | AKR1B1TDP1NR1H4PTGS2AKR1B10 | |
| SCHEMBL20954007 | 0.79 | KMT2A (0.45) | TDP1CA2RXRARXRBKDM4E | |
| SCHEMBL27769429 | 0.79 | GABRA1 (0.48) | TDP1CA2MAPT | |
| SCHEMBL30749472 | 0.79 | GABRA1 (0.48) | TDP1CA2MAPT | |
| SCHEMBL7792463 | 0.78 | NR1H4 (0.55) | AKR1B1TDP1NR1H4PTGS2MMP2 | |
| SCHEMBL20844643 | 0.78 | HSD17B10 (0.47) | AKR1B1TDP1NR1H4CA2MMP2 | |
| SCHEMBL24702055 | 0.77 | CA2 (0.46) | TDP1CA2CYP1A2KDM4ECYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105687323-A | Externally-used gel preparation for treating erythromelalgia and preparation method of externally-used gel preparation | 杨青 | 2016-06-22 | — | — | CN | claimed |
| CN-105687323-A | Externally-used gel preparation for treating erythromelalgia and preparation method of externally-used gel preparation | 杨青 | 2016-06-22 | — | — | CN | disclosed |