Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9169697 | 0.81 | SLC18A3 (0.41) | — | |
| SCHEMBL28441912 | 0.80 | MAPT (0.51) | TSHRL3MBTL1TP53MEN1KMT2A | |
| SCHEMBL9171989 | 0.76 | TSHR (0.45) | TSHRL3MBTL1TP53SLC6A2SLC6A3 | |
| SCHEMBL28929570 | 0.71 | CYP1A2 (0.54) | TP53CYP1A2CYP2C19MAPTNPC1 | |
| SCHEMBL22002721 | 0.71 | TSHR (0.41) | TSHRTP53MEN1KMT2ACYP1A2 | |
| SCHEMBL16050429 | 0.70 | TSHR (0.60) | TSHRL3MBTL1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL21558169 | 0.70 | SLC18A3 (0.44) | TSHRCYP1A2CYP2D6 | |
| SCHEMBL28278395 | 0.69 | MAPT (0.41) | TSHRL3MBTL1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL27671845 | 0.69 | L3MBTL1 (0.49) | TSHRL3MBTL1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL9166296 | 0.69 | POLB (0.40) | L3MBTL1PKM |
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-5387595-A | Antiinflammatory agents | MERCK & CO., INC. (US) | 1995-02-07 | — | — | US | disclosed |
| WO-1994004487-A1 | ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-03-03 | — | — | WO | disclosed |