Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8095408 | 0.90 | CYP2A6 (0.45) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL8096178 | 0.90 | CYP2A6 (0.45) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL8087584 | 0.88 | CYP2A6 (0.43) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL8086577 | 0.88 | CYP2A6 (0.43) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL8095541 | 0.88 | CYP2A6 (0.43) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL8093240 | 0.88 | CYP2A6 (0.43) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL8093953 | 0.88 | CYP2A6 (0.43) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL8097070 | 0.88 | CYP2A6 (0.43) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL8097074 | 0.88 | CYP2A6 (0.43) | CYP2A6CYP1A2ACHETSHRALDH1A1 | |
| SCHEMBL8096579 | 0.88 | CYP2A6 (0.43) | CYP2A6CYP1A2ACHETSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |