Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 6/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL27979723 | 0.90 | CYP19A1 (0.57) | KMT2AMEN1USP2MAPTALDH1A1 | |
| SCHEMBL27979925 | 0.83 | LMNA (0.54) | KMT2AMEN1ALDH1A1TP53CYP19A1 | |
| SCHEMBL6220883 | 0.83 | VDR (0.43) | KMT2AMEN1USP2MAPTALDH1A1 | |
| SCHEMBL27979859 | 0.82 | KMT2A (0.55) | KMT2AMEN1USP2MAPTALDH1A1 | |
| SCHEMBL28179557 | 0.81 | CYP19A1 (0.69) | KMT2AMEN1USP2MAPTALDH1A1 | |
| SCHEMBL30616073 | 0.81 | CYP19A1 (0.69) | KMT2AMEN1USP2MAPTALDH1A1 | |
| SCHEMBL28179541 | 0.81 | MAPT (0.56) | KMT2AMEN1USP2MAPTALDH1A1 | |
| SCHEMBL27899802 | 0.81 | MAPT (0.54) | KMT2AMEN1USP2MAPTALDH1A1 | |
| SCHEMBL28813847 | 0.80 | KMT2A (0.53) | KMT2AMEN1USP2MAPTALDH1A1 | |
| SCHEMBL30583112 | 0.79 | MEN1 (0.54) | KMT2AMEN1USP2MAPTALDH1A1 |
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-104177377-B | 3-diamine β -carboline alkali compound, preparation method thereof, pharmaceutical composition thereof and application thereof | 新疆华世丹药物研究有限责任公司 | 2020-04-10 | — | — | CN | disclosed |
| 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 |