Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16954492 | 0.83 | GABRA1 (0.48) | GABRA1GABRB2TAAR1ALDH1A1GPR84 | |
| SCHEMBL1453966 | 0.82 | GABRA1 (0.46) | GABRA1GABRB2TAAR1ALDH1A1GPR84 | |
| SCHEMBL29515459 | 0.82 | GABRA1 (0.46) | GABRA1GABRB2TAAR1ALDH1A1GPR84 | |
| SCHEMBL6219249 | 0.81 | GABRA1 (0.41) | GABRA1GABRB2TAAR1ALDH1A1TDP1 | |
| SCHEMBL31719750 | 0.81 | GABRA1 (0.41) | GABRA1GABRB2TAAR1ALDH1A1TDP1 | |
| SCHEMBL10933913 | 0.80 | ESR1 (0.42) | GABRA1GABRB2TAAR1ALDH1A1TDP1 | |
| SCHEMBL29712516 | 0.80 | ESR1 (0.42) | GABRA1GABRB2TAAR1ALDH1A1TDP1 | |
| SCHEMBL10750842 | 0.80 | TDP1 (0.31) | GABRA1GABRB2TDP1 | |
| SCHEMBL933622 | 0.79 | TAAR1 (0.60) | TAAR1ALDH1A1TDP1GPR84CA1 | |
| SCHEMBL29447909 | 0.79 | TAAR1 (0.60) | TAAR1ALDH1A1TDP1GPR84CA1 |
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-2406240-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010105179-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | WO | disclosed |
| EP-0275639-A1 | N-substituted cyclic amides, their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1988-07-27 | — | — | EP | disclosed |