Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL21597984 | 0.83 | TSHR (0.41) | TSHRALDH1A1CYP2D6MAPK1L3MBTL1 | |
| SCHEMBL1684009 | 0.79 | EPHX1 (0.45) | TSHRALDH1A1L3MBTL1PARP1EPHX1 | |
| SCHEMBL1683663 | 0.74 | CES2 (0.39) | TSHRALDH1A1MAPK1L3MBTL1KDM4E | |
| SCHEMBL3478245 | 0.73 | TSHR (0.37) | TSHRALDH1A1L3MBTL1PARP1EPHX1 | |
| SCHEMBL1683690 | 0.73 | RIPK1 (0.43) | ALDH1A1L3MBTL1KDM4EKMT2A | |
| SCHEMBL1683621 | 0.71 | PIN1 (0.42) | ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL1683813 | 0.68 | ALDH1A1 (0.44) | ALDH1A1CYP2D6L3MBTL1KDM4EMEN1 | |
| SCHEMBL1683646 | 0.68 | CA12 (0.44) | TSHRALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL1683898 | 0.68 | NPC1 (0.45) | TSHRALDH1A1MAPK1L3MBTL1PARP1 | |
| SCHEMBL9037736 | 0.67 | TSHR (0.45) | TSHRMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3064204-A1 | COMPOUNDS FOR TREATMENT OF CANCER | GTx, Inc. (US) | 2016-09-07 | — | — | EP | disclosed |