Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.35 |
| ▸ | CDK4 | P11802 | 5/20 | 0.33 |
| ▸ | CCND1 | P24385 | 5/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12433897 | 0.89 | SIGMAR1 (0.38) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL12433945 | 0.89 | SIGMAR1 (0.38) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL18174836 | 0.88 | CYP1A2 (0.38) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL24919306 | 0.87 | MCL1 (0.46) | SIGMAR1ALDH1A1HPGDHSD17B10MCL1 | |
| SCHEMBL26463284 | 0.87 | CYP1A2 (0.37) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22744779 | 0.87 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL556520 | 0.86 | SIGMAR1 (0.35) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL17263974 | 0.86 | CYP1A2 (0.32) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL17263970 | 0.85 | SIGMAR1 (0.38) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL17263999 | 0.85 | SIGMAR1 (0.38) | CYP1A2ERBB2FYNMAOAACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7981523-B2 | Aromatic amine derivative and organic electroluminescence device using the same | IDEMITSU KOSAN CO., LTD. (JP) | 2011-07-19 | — | — | US | disclosed |
| US-7981523-B2 | Aromatic amine derivative and organic electroluminescence device using the same | IDEMITSU KOSAN CO., LTD. (JP) | 2011-07-19 | — | — | US | disclosed |