Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | STAT6 | P42226 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7387109 | 0.83 | ITGB1 (0.34) | — | |
| SCHEMBL23388837 | 0.69 | NPC1 (0.37) | NPC1 | |
| SCHEMBL6124305 | 0.69 | — | — | |
| SCHEMBL16932247 | 0.67 | SMN1; SMN2 (0.33) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL3009778 | 0.67 | LMNA (0.34) | LMNACYP2C9FFAR3PTGS1PTGS2 | |
| SCHEMBL3116526 | 0.64 | FFAR3 (0.39) | LMNAFFAR3MAPK1NPC1TP53 | |
| SCHEMBL15106146 | 0.63 | PTGS1 (0.39) | FFAR3PTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL13788900 | 0.62 | — | — | |
| SCHEMBL12083425 | 0.62 | LMNA (0.38) | LMNACYP2C9TSHRTP53 | |
| SCHEMBL11442064 | 0.61 | CYP1A2 (0.49) | LMNACYP2C9FFAR3PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010120232-A1 | A PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY | YKI, YTKEMISKA INSTITUTET AB (SE) | 2010-10-21 | — | — | WO | disclosed |
| US-6420418-B1 | INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |