Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 8/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20928108 | 0.81 | FFAR1 (0.49) | FFAR1RAB9AKMT2A | |
| SCHEMBL20928517 | 0.81 | MAPK1 (0.36) | MAOBMAPK1ALDH1A1SLC5A2TP53 | |
| SCHEMBL23320409 | 0.78 | LMNA (0.56) | MAOBALDH1A1CYP3A4MAPTRAB9A | |
| SCHEMBL28922327 | 0.78 | LMNA (0.56) | MAOBALDH1A1CYP3A4MAPTRAB9A | |
| SCHEMBL20928142 | 0.76 | FFAR1 (0.42) | FFAR1MAOBALDH1A1MAPT | |
| SCHEMBL14862016 | 0.75 | MAOB (0.52) | MAOBALDH1A1RAB9AKMT2ANPC1 | |
| SCHEMBL31346101 | 0.70 | FFAR1 (0.38) | FFAR1MAOB | |
| SCHEMBL29165038 | 0.70 | LMNA (0.50) | MAOBALDH1A1TP53MAPTRAB9A | |
| SCHEMBL31346096 | 0.70 | FFAR1 (0.40) | FFAR1MAOBALDH1A1MAPTKMT2A | |
| SCHEMBL31345958 | 0.69 | KDM1A (0.38) | FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019076343-A1 | PD-1/PD-L1 SMALL-MOLECULE INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海长森药业有限公司 | 2019-04-25 | — | — | WO | disclosed |