Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | CTSD | P07339 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL149313 | 0.93 | ALDH1A1 (0.56) | KMT2AMEN1ALDH1A1HPGDEPHX2 | |
| SCHEMBL5898954 | 0.92 | ALDH1A1 (0.68) | KMT2AMEN1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL27961568 | 0.91 | KMT2A (0.55) | KMT2AMEN1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL28901354 | 0.89 | KMT2A (0.77) | KMT2AMEN1ALDH1A1HPGDLMNA | |
| SCHEMBL28901353 | 0.89 | KMT2A (0.77) | KMT2AMEN1ALDH1A1HPGDLMNA | |
| SCHEMBL29924325 | 0.89 | KMT2A (0.77) | KMT2AMEN1ALDH1A1HPGDLMNA | |
| SCHEMBL29924236 | 0.89 | KMT2A (0.77) | KMT2AMEN1ALDH1A1HPGDLMNA | |
| SCHEMBL29115514 | 0.88 | KMT2A (0.58) | KMT2AMEN1ALDH1A1HPGDHTT | |
| SCHEMBL8259636 | 0.85 | KMT2A (0.62) | KMT2AMEN1ALDH1A1EPHX2SMN1; SMN2 | |
| SCHEMBL15200213 | 0.84 | HPGD (0.59) | KMT2AALDH1A1HPGDSMN1; SMN2LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117551094-B | Preparation method of high-optical-purity rotundine | 云南省药物研究所 | 2024-04-05 | — | — | CN | disclosed |
| CN-117551094-A | Preparation method of high-optical-purity rotundine | 云南省药物研究所 | 2024-02-13 | — | — | CN | disclosed |
| EP-0888346-A1 | CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997029106-A1 | CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 1997-08-14 | — | — | WO | disclosed |