Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.41 |
| ▸ | HTR3B | O95264 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990517 | 0.74 | TDP1 (0.42) | LMNACYP2A6HTR3EHTR3BHTR3A | |
| SCHEMBL28031495 | 0.72 | TDP1 (0.40) | LMNACYP2A6HTR3EHTR3BHTR3A | |
| Ammonia Solution, Strong SCHEMBL28131657 | 0.72 | TDP1 (0.40) | LMNACYP2A6HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL27570550 | 0.72 | TDP1 (0.40) | LMNACYP2A6HTR3EHTR3BHTR3A | |
| SCHEMBL27438595 | 0.70 | ALDH1A1 (0.43) | LMNATDP1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL85600 | 0.69 | — | — | |
| SCHEMBL29106930 | 0.69 | ALDH1A1 (0.50) | TDP1ALDH1A1TSHR | |
| SCHEMBL131409 | 0.69 | ENPP2 (0.42) | KDM4ETSHRCA1CA2 | |
| SCHEMBL11652067 | 0.69 | PLAU (0.47) | CYP2A6PLAUTDP1ALDH1A1MAPK1 | |
| SCHEMBL28819400 | 0.69 | TSHR (0.55) | ALDH1A1CES2CES1MAPTALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103781813-B | The epoxy resin adduct mixed | 蓝立方知识产权有限责任公司 | 2016-09-14 | — | — | CN | disclosed |
| US-5578619-A | LEUKOTRIENE B4 ANTAGONISTS, ANTIINFLAMMATORY AGENTS | SEARLE & CO (US) | 1996-11-26 | — | — | US | disclosed |
| WO-1995032201-A1 | ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-SULFONIMIDES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B4 ANTAGONISTS | G.D. SEARLE & CO. (US) | 1995-11-30 | — | — | WO | disclosed |