Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | CTSD | P07339 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | DTYMK | P23919 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23037578 | 0.89 | TSHR (0.62) | TSHRALDH1A1MAPTLMNAHTT | |
| SCHEMBL30727560 | 0.89 | TSHR (0.67) | TSHRALDH1A1MAPTHTTCTSD | |
| SCHEMBL78205 | 0.89 | TSHR (0.67) | TSHRALDH1A1MAPTHTTCTSD | |
| SCHEMBL29696138 | 0.89 | TSHR (0.67) | TSHRALDH1A1MAPTHTTCTSD | |
| Ammonia Solution, Strong SCHEMBL11058598 | 0.87 | TSHR (0.65) | TSHRALDH1A1MAPTCTSDKDM4E | |
| SCHEMBL4588668 | 0.87 | TSHR (0.65) | TSHRALDH1A1MAPTCTSDKDM4E | |
| SCHEMBL9125306 | 0.87 | TSHR (0.65) | TSHRALDH1A1MAPTHTTCTSD | |
| SCHEMBL4587804 | 0.87 | TSHR (0.65) | TSHRALDH1A1MAPTHTTCTSD | |
| SCHEMBL20377950 | 0.87 | TSHR (0.65) | TSHRALDH1A1MAPTHTTCTSD | |
| SCHEMBL6391676 | 0.87 | TSHR (0.65) | TSHRALDH1A1MAPTHTTCTSD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3237411-A2 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY | Proteostasis Therapeutics, Inc. (US) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016105485-A2 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY | PROTEOSTASIS THERAPEUTICS, INC. (US) | 2016-06-30 | — | — | WO | disclosed |