Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.33 |
| ▸ | TAB1 | Q15750 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2832059 | 0.76 | TSHR (0.38) | TSHRMAP3K7TAB1ALDH1A1MAPT | |
| SCHEMBL248080 | 0.70 | TSHR (0.33) | TSHRMAP3K7TAB1ALDH1A1MAPT | |
| SCHEMBL11806922 | 0.70 | TSHR (0.42) | TSHRALDH1A1MAPT | |
| SCHEMBL905728 | 0.69 | ALDH1A1 (0.33) | TSHRALDH1A1 | |
| SCHEMBL5838096 | 0.68 | HCAR2 (0.43) | TSHRALDH1A1 | |
| SCHEMBL9363971 | 0.67 | TSHR (0.55) | TSHRMAP3K7TAB1ALDH1A1MAPT | |
| SCHEMBL181415 | 0.67 | ALDH1A1 (0.33) | TSHRALDH1A1 | |
| SCHEMBL6379498 | 0.66 | — | — | |
| SCHEMBL181416 | 0.65 | LMNA (0.32) | TSHR | |
| SCHEMBL8649318 | 0.65 | MAP3K7 (0.38) | TSHRMAP3K7TAB1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012025701-A1 | ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2012-03-01 | — | — | WO | disclosed |
| EP-2401257-A1 | ENZYME INHIBITORS | Chroma Therapeutics Ltd. (GB) | 2012-01-04 | — | — | EP | disclosed |