Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | RORB | Q92753 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28579438 | 0.77 | ALOX15 (0.38) | NOTUMADORA2AADORA1NPC1RAB9A | |
| SCHEMBL5005153 | 0.76 | MAPK14 (0.48) | NOTUMADORA2AADORA1MAPK13RAF1 | |
| SCHEMBL913810 | 0.69 | NOTUM (0.47) | NOTUMNPC1TP53TSHRNFKB1 | |
| SCHEMBL5223234 | 0.69 | DHFR (0.51) | NOTUMADORA2AADORA1NPC1TP53 | |
| SCHEMBL5316518 | 0.68 | IDO1 (0.50) | NOTUMNPC1TP53TSHRNFKB1 | |
| SCHEMBL31222672 | 0.67 | ALOX5 (0.65) | NOTUMNPC1TP53TSHRNFKB1 | |
| SCHEMBL817554 | 0.67 | ALOX5 (0.65) | NOTUMNPC1TP53TSHRNFKB1 | |
| SCHEMBL31040042 | 0.67 | NOTUM (0.46) | NOTUMNPC1TP53TSHRNFKB1 | |
| SCHEMBL18447962 | 0.67 | RORB (0.49) | NOTUMADORA2AADORA1NPC1TP53 | |
| SCHEMBL28296522 | 0.67 | ADORA2A (0.48) | NOTUMADORA2AADORA1NPC1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116924995-A | Method for synthesizing benzimidazole compound by catalyzing L-phenylalanine | 宁夏师范学院 | 2023-10-24 | — | — | CN | disclosed |