Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1686913 | 0.89 | KMT2A (0.48) | DAOKMT2AMEN1ELANERAB9A | |
| SCHEMBL28898229 | 0.73 | ELANE (0.36) | KMT2AELANESRD5A2 | |
| SCHEMBL28455821 | 0.73 | COMT (0.34) | SRD5A2 | |
| SCHEMBL28454887 | 0.71 | KDM4E (0.34) | KMT2ACYP1A2SRD5A2 | |
| SCHEMBL1686843 | 0.67 | COMT (0.41) | IDH1SRD5A2 | |
| SCHEMBL9366646 | 0.67 | SRD5A2 (0.33) | DAOKMT2ACYP2C19SRD5A2 | |
| SCHEMBL28452264 | 0.66 | DAO (0.74) | DAOIDH1 | |
| SCHEMBL9370264 | 0.65 | GAA (0.40) | — | |
| SCHEMBL1686852 | 0.65 | COMT (0.40) | — | |
| SCHEMBL6181240 | 0.65 | COMT (0.40) | SRD5A2 |
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-111620893-B | C-3 tetrahydrofuran substituted cephalosporin-siderophore coupling compound and preparation method and application thereof | 重庆医药高等专科学校 | 2021-12-14 | — | — | CN | disclosed |
| CN-111620893-A | C-3 tetrahydrofuran substituted cephalosporin-siderophore coupling compound and preparation method and application thereof | 重庆医药高等专科学校 | 2020-09-04 | — | — | CN | disclosed |