Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28362405 | 0.89 | TSHR (0.54) | TSHRL3MBTL1TDP1MEN1KMT2A | |
| SCHEMBL28366032 | 0.87 | TSHR (0.53) | TSHRL3MBTL1TDP1MEN1KMT2A | |
| SCHEMBL28366194 | 0.86 | TSHR (0.51) | TSHRL3MBTL1TDP1MEN1KMT2A | |
| SCHEMBL1555236 | 0.85 | ALDH1A1 (0.60) | TSHRL3MBTL1TDP1MEN1KMT2A | |
| SCHEMBL2417877 | 0.84 | TSHR (0.50) | TSHRL3MBTL1TDP1MEN1KMT2A | |
| SCHEMBL4671445 | 0.83 | PKM (0.53) | TSHRL3MBTL1ALDH1A1HSD17B10LMNA | |
| SCHEMBL28512693 | 0.83 | TSHR (0.51) | TSHRL3MBTL1TDP1MEN1KMT2A | |
| SCHEMBL8431889 | 0.83 | TSHR (0.51) | TSHRL3MBTL1TDP1MEN1KMT2A | |
| SCHEMBL9863045 | 0.81 | ALDH1A1 (0.55) | TSHRL3MBTL1TDP1MEN1KMT2A | |
| SCHEMBL23609638 | 0.81 | TSHR (0.50) | TSHRL3MBTL1TDP1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002057225-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-07-25 | — | — | WO | disclosed |