Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | RAD52 | P43351 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11757124 | 1.00 | MEN1 (0.62) | MEN1KMT2ALTA4HCYP1A2CYP2D6 | |
| SCHEMBL30784987 | 1.00 | MEN1 (0.62) | MEN1KMT2ALTA4HCYP1A2CYP2D6 | |
| SCHEMBL10483510 | 0.89 | MEN1 (0.63) | MEN1KMT2ALTA4HCYP1A2CYP2D6 | |
| SCHEMBL2458049 | 0.85 | MEN1 (0.55) | MEN1KMT2ALTA4HCYP1A2CYP2D6 | |
| SCHEMBL10483507 | 0.84 | MEN1 (0.57) | MEN1KMT2ALTA4HCYP1A2CYP2D6 | |
| SCHEMBL10483449 | 0.82 | NPSR1 (0.59) | MEN1KMT2ACYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL10483467 | 0.81 | RAD52 (0.54) | MEN1KMT2ALTA4HCYP1A2PKM | |
| SCHEMBL1694966 | 0.81 | MEN1 (0.57) | MEN1KMT2ALTA4HCYP1A2CYP2D6 | |
| SCHEMBL30740027 | 0.80 | RAD52 (0.74) | MEN1KMT2ACYP1A2CYP2D6PKM | |
| SCHEMBL3301514 | 0.80 | NPSR1 (0.74) | RAD52NPSR1 |
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-117624137-A | Triazine skeleton small molecule heparin reversal agent and preparation method and application thereof | 中国药科大学 | 2024-03-01 | — | — | CN | disclosed |