Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL27917595 | 0.83 | MCL1 (0.63) | MCL1TSHRMEN1KMT2ALMNA | |
| SCHEMBL28815432 | 0.83 | KMT2A (0.52) | MCL1MEN1KMT2ATP53ALDH1A1 | |
| SCHEMBL27917518 | 0.80 | MCL1 (0.56) | MCL1TSHRMEN1KMT2ALMNA | |
| SCHEMBL31402873 | 0.80 | MCL1 (0.58) | MCL1TSHRMEN1KMT2ALMNA | |
| Ammonia Solution, Strong SCHEMBL28381784 | 0.79 | MCL1 (0.55) | MCL1TSHRMEN1KMT2ALMNA | |
| SCHEMBL31402879 | 0.78 | MCL1 (0.53) | MCL1TSHRMEN1KMT2ALMNA | |
| Ammonia Solution, Strong SCHEMBL28388011 | 0.78 | MCL1 (0.53) | MCL1TSHRMEN1KMT2ALMNA | |
| SCHEMBL27992186 | 0.77 | MCL1 (0.52) | MCL1MEN1KMT2ALMNA | |
| SCHEMBL28381781 | 0.76 | MCL1 (0.54) | MCL1TSHRMEN1KMT2A | |
| SCHEMBL27992449 | 0.76 | MCL1 (0.63) | MCL1TSHRMEN1KMT2ALMNA |
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-104177376-A | 1-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 |