Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.42 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8946339 | 0.88 | ESR1 (0.42) | CYP1A2NQO2ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8946290 | 0.87 | NQO2 (0.53) | NQO2ALDH1A1 | |
| SCHEMBL19152266 | 0.87 | GABRA2 (0.42) | CYP1A2GABRA2GABRB2AURKAAURKB | |
| SCHEMBL8946957 | 0.86 | NQO2 (0.39) | NQO2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9462723 | 0.83 | NQO2 (0.52) | CYP1A2GABRA2GABRB2AURKAAURKB | |
| SCHEMBL1615754 | 0.82 | ALDH1A1 (0.46) | CYP1A2GABRA2GABRB2AURKAAURKB | |
| SCHEMBL29617388 | 0.82 | ALDH1A1 (0.46) | CYP1A2GABRA2GABRB2AURKAAURKB | |
| SCHEMBL8946276 | 0.81 | ACHE (0.40) | NQO2 | |
| SCHEMBL1617936 | 0.81 | GABRA2 (0.42) | CYP1A2GABRA2GABRB2NQO2ALDH1A1 | |
| SCHEMBL9463492 | 0.76 | NQO2 (0.47) | CYP1A2GABRA2GABRB2AURKAAURKB |
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 |
|---|---|---|---|---|---|---|---|
| US-5493027-A | ANTIEPILEPTIC AGENTS, NEUROGENATIVE DISEASES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-02-20 | — | — | US | disclosed |
| US-5493027-A | ANTIEPILEPTIC AGENTS, NEUROGENATIVE DISEASES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-02-20 | — | — | US | disclosed |
| WO-1994017042-A1 | ANTICONVULSIVE AGENTS AND USES THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1994-08-04 | — | — | WO | disclosed |