Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL355333 | 0.94 | TSHR (0.69) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL6372716 | 0.94 | TSHR (0.69) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL17498723 | 0.94 | TSHR (0.69) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL28044275 | 0.92 | ACHE (0.65) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL27260968 | 0.88 | ACHE (0.69) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL10609474 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL10573085 | 0.88 | ACHE (0.79) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL2780000 | 0.87 | TSHR (0.52) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL7594282 | 0.87 | LMNA (0.52) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL8833225 | 0.86 | ACHE (0.58) | ACHETSHRLMNAALOX12ALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101121708-B | Method for synthesizing oxapium iodide and analogue thereof | XIAOXIANG LI | 2010-12-15 | — | — | CN | disclosed |
| CN-101121708-A | Method for synthesizing oxapium iodide and analogue thereof | XIAOXIANG LI (CN) | 2008-02-13 | — | — | CN | disclosed |
| EP-0409399-B1 | 3-keto HMG-COA reductase inhibitors | MERCK & CO INC (US) | 1996-03-13 | — | — | EP | disclosed |
| EP-0331250-B1 | Antihypercholesterolemic agents | MERCK & CO INC (US) | 1994-04-13 | — | — | EP | disclosed |
| US-5041562-A | Anticholesterol agents; therapy for arteriosclerosis | MERCK & CO., INC. (US) | 1991-08-20 | — | — | US | disclosed |
| US-5021453-A | 3-hydroxy-3-methyl glutaryl coenzyme a; anticholesterol-antilepemic agent | MERCK & CO., INC. (US) | 1991-06-04 | — | — | US | disclosed |
| US-5001241-A | 3-KETO HMG-CoA reductase inhibitors | MERCK & CO., INC. (US) | 1991-03-19 | — | — | US | disclosed |
| EP-0408806-A1 | Antihypercholesterolemic agents | MERCK & CO. INC. (US) | 1991-01-23 | — | — | EP | disclosed |
| EP-0409399-A1 | 3-keto HMG-COA reductase inhibitors | MERCK & CO. INC. (US) | 1991-01-23 | — | — | EP | disclosed |
| US-4968693-A | 3-keto HMG-COA reductase inhibitors | MERCK & CO., INC. (US) | 1990-11-06 | — | — | US | disclosed |
| EP-0331250-A2 | Antihypercholesterolemic agents | MERCK & CO. INC. (US) | 1989-09-06 | — | — | EP | disclosed |