Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 6/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | HTR2B | P41595 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL20443883 | 0.84 | ADRA1A (0.45) | GABRA1GABRB2GABRB1LMNASLC6A2 | |
| SCHEMBL2737293 | 0.82 | GABRA1 (0.50) | GABRA1GABRB2GABRB1LMNASLC6A2 | |
| SCHEMBL15631302 | 0.82 | ADRA1A (0.57) | GABRA1GABRB2GABRB1LMNASLC6A2 | |
| SCHEMBL2738307 | 0.80 | GABRA1 (0.48) | GABRA1GABRB2GABRB1LMNASLC6A2 | |
| SCHEMBL27691694 | 0.79 | ADRB2 (0.39) | PTGS1ADRA1AADRB2ADRB1ADRB3 | |
| SCHEMBL487169 | 0.78 | GABRA1 (0.56) | GABRA1GABRB2GABRB1LMNASLC6A2 | |
| SCHEMBL27691695 | 0.78 | ADRB2 (0.38) | ADRA1AADRB2ADRB1ADRB3ADRA2A | |
| SCHEMBL29699645 | 0.77 | GABRA1 (0.68) | GABRA1GABRB2GABRB1LMNASLC6A2 | |
| SCHEMBL2585105 | 0.77 | GABRA1 (0.68) | GABRA1GABRB2GABRB1LMNASLC6A2 | |
| SCHEMBL25221643 | 0.76 | GABRA1 (0.54) | GABRA1GABRB2GABRB1LMNASLC6A2 |
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-9914719-B2 | Hydroxybenzamide derivatives and their use as inhibitors of HSP90 | ASTEX THERAPEUTICS LTD. (GB) | 2018-03-13 | — | — | US | disclosed |
| US-9730912-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2017-08-15 | — | — | US | disclosed |