Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 7/20 | 0.49 |
| ▸ | MEN1 | O00255 | 7/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYBB | P04839 | 3/20 | 0.38 |
| ▸ | NOX4 | Q9NPH5 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL29165193 | 0.88 | MEN1 (0.55) | TNFRSF1AMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL29165195 | 0.87 | TNFRSF1A (0.46) | TNFRSF1AMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL29165196 | 0.86 | TNFRSF1A (0.47) | TNFRSF1AMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL29165172 | 0.84 | TNFRSF1A (0.45) | TNFRSF1AMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL29165320 | 0.84 | TNFRSF1A (0.44) | TNFRSF1AMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL14589617 | 0.82 | ALDH1A1 (0.56) | MAPTMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL14146645 | 0.81 | MEN1 (0.51) | TNFRSF1AMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL12922830 | 0.77 | MEN1 (0.39) | MAPTMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL13751811 | 0.75 | NOX4 (0.46) | MAPTMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL29165490 | 0.73 | MEN1 (0.53) | TNFRSF1AMAPTMEN1KMT2AALDH1A1 |
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-117624062-A | Barbiturates structure-containing compound and preparation method and application thereof | 武汉大学 | 2024-03-01 | — | — | CN | disclosed |