Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL235417 | 0.89 | TSHR (0.58) | TSHRLMNAMAPK1CYP2D6SRC | |
| SCHEMBL236726 | 0.89 | TSHR (0.58) | TSHRLMNAMAPK1CYP2D6SRC | |
| SCHEMBL77244 | 0.89 | TSHR (0.58) | TSHRLMNAMAPK1CYP2D6SRC | |
| Acetic Acid SCHEMBL28643353 | 0.88 | TSHR (0.48) | TSHRLMNAMAPK1CYP2D6SRC | |
| SCHEMBL6390318 | 0.77 | PTGS2 (0.48) | TSHRCYP2D6EPHX1SLC6A3 | |
| SCHEMBL2222678 | 0.77 | TSHR (0.52) | TSHRCES2CES1SMN1; SMN2 | |
| SCHEMBL29184903 | 0.77 | ESR1 (0.46) | TSHR | |
| SCHEMBL28956796 | 0.75 | EPHX1 (0.44) | LMNAMAPK1BCAT2CYP2D6SRC | |
| SCHEMBL12096689 | 0.75 | ANPEP (0.53) | TSHRLMNAMAPK1CES2CES1 | |
| SCHEMBL10828243 | 0.74 | MAPT (0.61) | LMNAMAPK1CYP2D6CYP1A2SMN1; SMN2 |
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-0370153-A1 | Improvement process for debrominative rearrangements | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-05-30 | — | — | EP | disclosed |