Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 5/20 | 0.55 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.55 |
| ▸ | LDHA | P00338 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28888990 | 1.00 | MTNR1A (0.55) | MTNR1AMTNR1BLDHAALOX15ALOX12 | |
| SCHEMBL30008644 | 0.81 | MTNR1A (0.54) | MTNR1AMTNR1BLDHAALOX15ALOX12 | |
| SCHEMBL28959132 | 0.81 | MTNR1A (0.54) | MTNR1AMTNR1BLDHAALOX15ALOX12 | |
| SCHEMBL30008939 | 0.81 | MTNR1A (0.54) | MTNR1AMTNR1BLDHAALOX15ALOX12 | |
| SCHEMBL28888984 | 0.81 | MTNR1A (0.54) | MTNR1AMTNR1BLDHAALOX15ALOX12 | |
| SCHEMBL10728332 | 0.78 | MTNR1A (0.74) | MTNR1AMTNR1BLDHAALDH1A1NPC1 | |
| SCHEMBL9314227 | 0.77 | LDHA (0.52) | MTNR1AMTNR1BLDHAALOX15ALOX12 | |
| SCHEMBL8303478 | 0.77 | LDHA (0.52) | MTNR1AMTNR1BLDHAALOX15ALOX12 | |
| SCHEMBL345865 | 0.76 | LDHA (0.57) | LDHAALOX15ALOX12ALDH1A1NPC1 | |
| SCHEMBL10771141 | 0.76 | LDHA (0.51) | MTNR1AMTNR1BLDHAALOX15ALOX12 |
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-117440947-A | Lignan derivative, preparation method and application thereof | 中国科学院上海药物研究所 | 2024-01-23 | — | — | CN | disclosed |
| CN-115215821-A | Lignan derivative, preparation method and application thereof | 中国科学院上海药物研究所 | 2022-10-21 | — | — | CN | disclosed |