Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | IAPP | P10997 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30022725 | 1.00 | NFE2L2 (0.53) | NFE2L2KDM4EMAPTLMNARAB9A | |
| SCHEMBL6793789 | 1.00 | NFE2L2 (0.53) | NFE2L2KDM4EMAPTLMNARAB9A | |
| SCHEMBL1345149 | 0.87 | CYP1A1 (0.55) | NFE2L2KDM4EMAPTLMNARAB9A | |
| SCHEMBL1345148 | 0.87 | CYP1A1 (0.55) | NFE2L2KDM4EMAPTLMNARAB9A | |
| SCHEMBL7683621 | 0.85 | MAPT (0.44) | NFE2L2KDM4EMAPTLMNARAB9A | |
| SCHEMBL7686797 | 0.85 | MAPT (0.44) | NFE2L2KDM4EMAPTLMNAIAPP | |
| SCHEMBL7686801 | 0.85 | MAPT (0.44) | NFE2L2KDM4EMAPTLMNAIAPP | |
| SCHEMBL7683617 | 0.85 | MAPT (0.44) | NFE2L2KDM4EMAPTLMNARAB9A | |
| SCHEMBL1404883 | 0.83 | MAPT (0.59) | KDM4EMAPTLMNAIAPPKMT2A | |
| SCHEMBL6796011 | 0.83 | KDM4E (0.46) | KDM4EMAPTLMNARAB9AIAPP |
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 |
|---|---|---|---|---|---|---|---|
| CN-115232019-B | Synthesis method of 3-acetamido benzotrifluoride compound | 闽江学院 | 2023-10-27 | — | — | CN | disclosed |
| CN-115232019-A | Synthetic method of 3-acetamido benzotrifluoride compound | 闽江学院 | 2022-10-25 | — | — | CN | disclosed |
| US-6706732-B1 | PROPHYLACTIC AND THERAPEUTIC EFFECT ON MYOCARDIAL INFARCTION AND ACCOMPANYING DYSFUNCTIONS, ARRHYTHMIA, UNSTABLE ANGINA, CARDIAC HYPERTROPHY, ETC.; SODIUM-PROTON EXCHANGE INHIBITION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-16 | — | — | US | disclosed |
| EP-1182194-A1 | PERNASAL PREPARATIONS | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |