Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 4/20 | 0.43 |
| ▸ | FABP4 | P15090 | 2/20 | 0.42 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | PRKACG | P22612 | 1/20 | 0.39 |
| ▸ | PRKACB | P22694 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27979932 | 0.85 | CNR2 (0.56) | PTGER4CNR2PSEN1PSEN2APH1B | |
| SCHEMBL27979723 | 0.85 | CYP19A1 (0.57) | PTGER4SRC | |
| SCHEMBL2215826 | 0.81 | CNR2 (0.56) | SIGMAR1CNR2FABP4FABP5SRC | |
| SCHEMBL2459822 | 0.79 | PTGER4 (0.59) | PTGER4SRC | |
| SCHEMBL27921260 | 0.79 | SIGMAR1 (0.46) | SIGMAR1CNR2FABP4FABP5PSEN1 | |
| SCHEMBL17278442 | 0.78 | SIGMAR1 (0.62) | SIGMAR1FABP4FABP5MAOAMAOB | |
| SCHEMBL27979773 | 0.78 | SIGMAR1 (0.45) | SIGMAR1PTGER4CNR2ACHEBCHE | |
| SCHEMBL27979862 | 0.76 | KMT2A (0.55) | — | |
| SCHEMBL27979881 | 0.76 | MEN1 (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL27979719 | 0.76 | ALDH1A1 (0.52) | PTGER4CNR2 |
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-104177377-A | 3-Position diamine beta-carboline alkali compound, and preparation method, medicinal composition and use thereof | XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD | 2014-12-03 | — | — | CN | disclosed |