Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 4/20 | 0.54 |
| ▸ | NAAA | Q02083 | 6/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL8099168 | 0.98 | NAAA (0.56) | MIFNAAATAAR1ADRA2AADRA2B | |
| SCHEMBL8100884 | 0.98 | NAAA (0.56) | MIFNAAATAAR1ADRA2AADRA2B | |
| SCHEMBL8100915 | 0.98 | NAAA (0.56) | MIFNAAATAAR1ADRA2AADRA2B | |
| SCHEMBL8104916 | 0.98 | NAAA (0.56) | MIFNAAATAAR1ADRA2AADRA2B | |
| SCHEMBL8099318 | 0.98 | NAAA (0.56) | MIFNAAATAAR1ADRA2AADRA2B | |
| SCHEMBL8107617 | 0.98 | NAAA (0.56) | MIFNAAATAAR1ADRA2AADRA2B | |
| SCHEMBL8091766 | 0.95 | MIF (0.53) | MIFNAAATAAR1ADRA2AADRA2B | |
| SCHEMBL2241797 | 0.87 | ADRA2A (0.53) | MIFNAAATAAR1ADRA2AADRA2B | |
| SCHEMBL20146704 | 0.79 | TAAR1 (0.73) | TAAR1ADRA2AADRA2BADRA2CTSHR | |
| SCHEMBL11243180 | 0.79 | TAAR1 (0.52) | TAAR1ADRA2AADRA2BADRA2CTSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250076283-A1 | METHOD FOR PREDICTING IN VIVO PHARMACOKINETICS OF MOLECULE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2025-03-06 | — | — | US | disclosed |
| EP-4342984-A1 | METHOD FOR PREDICTING IN VIVO PHARMACOKINETICS OF MOLECULE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2024-03-27 | — | — | EP | disclosed |
| WO-2022244838-A1 | METHOD FOR PREDICTING IN VIVO PHARMACOKINETICS OF MOLECULE | 中外製薬株式会社 | 2022-11-24 | — | — | WO | disclosed |
| US-6166003-A | Heterocyclic compounds for cancer chemoprevention | LKT LABORATORIES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000049013-A1 | ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS | LKT LABORATORIES, INC. (US) | 2000-08-24 | — | — | WO | disclosed |