Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5746300 | 0.90 | TDP1 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5747214 | 0.80 | ALDH1A1 (0.37) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5746906 | 0.79 | CYP1A2 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2350296 | 0.76 | ALDH1A1 (0.48) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29804460 | 0.76 | ALDH1A1 (0.48) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5749334 | 0.76 | ALDH1A1 (0.55) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5746222 | 0.75 | CYP1A2 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL25424 | 0.75 | ALDH1A1 (0.65) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5749410 | 0.75 | CYP1A2 (0.37) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5748102 | 0.75 | ALDH1A1 (0.44) | 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-20060293503-A1 | Polyaminopyridines and method for producing same | SUMITOMO SEIKA CHEMICALS CO., LTD (JP) | 2006-12-28 | — | — | US | disclosed |
| EP-1669390-A1 | POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2006-06-14 | — | — | EP | disclosed |