Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL6318709 | 0.80 | ESR1 (0.58) | ESR1ESR2NPC1 | |
| Biphenyl SCHEMBL27923151 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL28896074 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL191449 | 0.76 | DNMT1 (0.48) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL30034855 | 0.76 | DNMT1 (0.48) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL1921439 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL619730 | 0.74 | ESR1 (0.61) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL12695622 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL18320175 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| Ammonia Solution, Strong SCHEMBL12818906 | 0.74 | DNMT1 (0.47) | ALDH1A1HSD17B10TDP1CYP2A6TSHR |
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-104884572-B | Material for electronic devices | 默克专利有限公司 | 2017-09-19 | — | — | CN | disclosed |
| CN-104684886-B | Compounds for Electronic Devices | 默克专利有限公司 | 2017-07-18 | — | — | CN | disclosed |
| CN-1217699-C | Preventives or remedies for arrhythmia | SHIONOGI & CO (JP) | 2005-09-07 | — | — | CN | disclosed |
| CN-1217942-C | Pyrrolidine derivatives having phospholipase A inhibitory activity | SHIONOGI & CO (JP) | 2005-09-07 | — | — | CN | disclosed |
| US-6924301-B1 | Composition for treating or preventing arrhythmia | SHIONOGI & CO., LTD. (JP) | 2005-08-02 | — | — | US | disclosed |
| EP-0976748-B1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| CN-1411379-A | Preventives or remedies for arrhythmia | SHIONOGI & CO (JP) | 2003-04-16 | — | — | CN | disclosed |
| EP-1240906-A1 | PREVENTIVES OR REMEDIES FOR ARRHYTHMIA | SHIONOGI & CO., LTD. (JP) | 2002-09-18 | — | — | EP | disclosed |
| US-6147100-A | ANTIINFLAMMATORY AGENTS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| CN-1251587-A | Pyrrolidine derivatives having phospholipase A inhibitory activity | SHIONOGI & CO (JP) | 2000-04-26 | — | — | CN | disclosed |
| EP-0976748-A1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2000-02-02 | — | — | EP | disclosed |