Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 1/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12315605 | 0.90 | PTGS2 (0.48) | PTGS2RARBPLK1THRB | |
| SCHEMBL6839675 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HPGDHSD17B10NPC1RAB9A | |
| SCHEMBL11358690 | 0.84 | PTGS2 (0.46) | ALDH1A1PTGS2RARB | |
| SCHEMBL8429803 | 0.83 | AKR1C3 (0.46) | ALDH1A1HSD17B10NPC1RAB9APTGS2 | |
| SCHEMBL11322502 | 0.83 | FFAR1 (0.51) | ALDH1A1PTGS2RARB | |
| Hydrochloric Acid SCHEMBL11111053 | 0.83 | PTGS2 (0.45) | PTGS2RARB | |
| SCHEMBL14240874 | 0.81 | PTGS2 (0.61) | ALDH1A1HPGDHSD17B10NPC1RAB9A | |
| SCHEMBL29394323 | 0.81 | PTGS2 (0.61) | ALDH1A1HPGDHSD17B10NPC1RAB9A | |
| SCHEMBL4096060 | 0.81 | PTGS2 (0.61) | ALDH1A1HPGDHSD17B10NPC1RAB9A | |
| SCHEMBL28417998 | 0.80 | PTGS2 (0.59) | HPGDNPC1RAB9ASMN1; SMN2PTGS2 |
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-112479855-A | Preparation method of ibuprofen impurity B | 艾希尔（深圳）药物研发有限公司 | 2021-03-12 | — | — | CN | disclosed |