Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HAAO | P46952 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.34 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.34 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27590576 | 0.86 | FOLH1 (0.36) | CYP1A2TSHRHAAOGABRPGABRD | |
| SCHEMBL27417962 | 0.85 | GABRP (0.41) | CYP1A2TSHRHAAOGABRPGABRD | |
| Nitrobenzene SCHEMBL28178563 | 0.84 | TSHR (0.44) | TSHRALDH1A1KMT2AALOX15 | |
| SCHEMBL28127936 | 0.83 | METAP2 (0.40) | CYP1A2TSHRHAAOGABRPGABRD | |
| SCHEMBL27475387 | 0.82 | LMNA (0.39) | TSHRGABRA1GABRB2ALDH1A1AKR1C3 | |
| SCHEMBL27968107 | 0.81 | CYP1A2 (0.37) | CYP1A2TSHRHAAOGABRPGABRD | |
| SCHEMBL27287111 | 0.81 | GABRP (0.38) | CYP1A2TSHRHAAOGABRPGABRD | |
| SCHEMBL8921714 | 0.81 | CYP1A2 (0.37) | CYP1A2TSHRHAAOGABRPGABRD | |
| SCHEMBL27535391 | 0.81 | CYP1A2 (0.37) | CYP1A2TSHRHAAOGABRPGABRD | |
| SCHEMBL27536275 | 0.81 | DCLRE1B (0.45) | CYP1A2TSHRHAAOGABRPGABRD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106687458-A | Substituted oxopyridine derivatives | 拜耳制药股份公司 | 2017-05-17 | — | — | CN | disclosed |