Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30205148 | 0.86 | ALDH1A1 (0.53) | ALDH1A1HTTKDM4ETXNRD1HCAR3 | |
| SCHEMBL30205490 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HTTKDM4ETXNRD1CYP19A1 | |
| SCHEMBL7540268 | 0.75 | VCAM1 (0.58) | ALDH1A1TXNRD1VCAM1 | |
| SCHEMBL10060156 | 0.73 | ALDH1A1 (0.71) | ALDH1A1HTTKDM4EHCAR3MAPT | |
| SCHEMBL6517136 | 0.73 | ALDH1A1 (0.71) | ALDH1A1HTTKDM4EHCAR3MAPT | |
| SCHEMBL7540192 | 0.72 | TXNRD1 (0.55) | ALDH1A1HTTTXNRD1CYP19A1MAPT | |
| SCHEMBL28108051 | 0.72 | MLNR (0.53) | TXNRD1MAPTCYP2D6TP53 | |
| SCHEMBL28954844 | 0.71 | MAPT (0.54) | ALDH1A1HTTMAPTLMNASMN1; SMN2 | |
| SCHEMBL4535995 | 0.70 | ALDH1A1 (0.54) | ALDH1A1HTTKDM4EHCAR3MAPT | |
| SCHEMBL586090 | 0.70 | PSEN1 (0.49) | TXNRD1CYP19A1KMT2ACYP2D6TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115710251-A | Myeloid differentiation factor 88 inhibitor and preparation method and application thereof | 杭州医学院 | 2023-02-24 | — | — | CN | claimed |
| CN-115710251-B | Medullary differentiation factor 88 inhibitor and preparation method and application thereof | 杭州医学院 | 2024-05-28 | — | — | CN | disclosed |
| CN-115710251-A | Myeloid differentiation factor 88 inhibitor and preparation method and application thereof | 杭州医学院 | 2023-02-24 | — | — | CN | disclosed |