Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9457560 | 0.85 | LMNA (0.41) | ALDH1A1TDP1L3MBTL1NPC1RAB9A | |
| SCHEMBL9721000 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TDP1L3MBTL1NPC1RAB9A | |
| SCHEMBL8242742 | 0.77 | ALDH1A1 (0.57) | ALOX5ALDH1A1TDP1L3MBTL1KEAP1 | |
| SCHEMBL9457451 | 0.77 | L3MBTL1 (0.44) | ALDH1A1TDP1L3MBTL1NPC1RAB9A | |
| SCHEMBL10561202 | 0.75 | MMP12 (0.46) | ALOX5ALDH1A1TDP1L3MBTL1NPC1 | |
| SCHEMBL23369879 | 0.73 | ALDH1A1 (0.52) | ALOX5ALDH1A1TDP1L3MBTL1NPC1 | |
| Hydrochloric Acid SCHEMBL8153499 | 0.73 | ALDH1A1 (0.52) | ALOX5ALDH1A1TDP1L3MBTL1KEAP1 | |
| SCHEMBL1259772 | 0.73 | TDP1 (0.56) | ALOX5ALDH1A1TDP1L3MBTL1NPC1 | |
| SCHEMBL10560724 | 0.72 | MMP12 (0.58) | ALDH1A1TDP1L3MBTL1KEAP1HDAC2 | |
| SCHEMBL20927213 | 0.72 | ALDH1A1 (0.50) | ALOX5ALDH1A1TDP1L3MBTL1KEAP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5225421-A | Leukotriene antagonists; cytoprotective agents | MERCK FROSST CANADA, INC. (CA) | 1993-07-06 | — | — | US | disclosed |
| EP-0275667-B1 | 3-HETERO-SUBSTITUTED-N-BENZYL-INDOLES | MERCK FROSST CANADA INC. (CA) | 1992-03-18 | — | — | EP | disclosed |
| US-5081138-A | Antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents | MERCK FROSST CANADA, INC. (CA) | 1992-01-14 | — | — | US | disclosed |
| EP-0275667-A1 | 3-hetero-substituted-N-benzyl-indoles | MERCK FROSST CANADA INC. (CA) | 1988-07-27 | — | — | EP | disclosed |