Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | SOS1 | Q07889 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.51 |
| ▸ | MAPT | P10636 | 8/20 | 0.51 |
| ▸ | MEN1 | O00255 | 7/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL29558247 | 0.80 | KDM4E (0.66) | KDM4EALDH1A1TSHRPOLBUSP2 | |
| SCHEMBL29559166 | 0.80 | SOS1 (0.59) | KDM4EALDH1A1TSHRPOLBUSP2 | |
| SCHEMBL29558517 | 0.79 | KDM4E (0.49) | KDM4EPOLBKMT2AMAPTMEN1 | |
| SCHEMBL29558521 | 0.78 | NTRK1 (0.45) | KDM4EALDH1A1POLBKMT2AMAPT | |
| SCHEMBL29558367 | 0.77 | APP (0.47) | KMT2AMAPTLMNATP53SMN1; SMN2 | |
| SCHEMBL28725385 | 0.73 | KDM4E (0.60) | KDM4EALDH1A1TSHRPOLBUSP2 | |
| SCHEMBL29558895 | 0.73 | KDM4E (0.60) | KDM4EALDH1A1TSHRPOLBUSP2 | |
| SCHEMBL29558251 | 0.68 | MAPT (0.49) | KDM4EPOLBKMT2AMAPTMEN1 | |
| SCHEMBL1084254 | 0.68 | KMT2A (1.00) | KDM4EALDH1A1TSHRPOLBSOS1 | |
| SCHEMBL4356051 | 0.67 | ALDH1A1 (0.49) | KDM4EALDH1A1TSHRPOLBKMT2A |
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-114380753-A | Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof | 中国医学科学院药物研究所 | 2022-04-22 | — | — | CN | claimed |
| CN-114380753-A | Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof | 中国医学科学院药物研究所 | 2022-04-22 | — | — | CN | disclosed |