Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | FABP7 | O15540 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 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 | |
|---|---|---|---|---|
| SCHEMBL23068987 | 1.00 | TSHR (0.41) | TSHRHTR2CTACR1FABP7FABP5 | |
| Hydrochloric Acid SCHEMBL22615982 | 0.99 | TSHR (0.43) | TSHRHTR2CTACR1FABP7FABP5 | |
| Hydrochloric Acid SCHEMBL23062893 | 0.99 | TSHR (0.43) | TSHRHTR2CTACR1FABP7FABP5 | |
| SCHEMBL29573141 | 0.79 | CHRNA7 (0.43) | TSHRFKBP1A | |
| SCHEMBL22615959 | 0.79 | CHRNA7 (0.43) | TSHRFKBP1A | |
| SCHEMBL28501135 | 0.79 | CHRNA7 (0.43) | TSHRFKBP1A | |
| SCHEMBL23068811 | 0.78 | CYP2D6 (0.44) | TSHRTACR1ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL23062927 | 0.78 | CYP2D6 (0.44) | TSHRTACR1ALDH1A1L3MBTL1KMT2A | |
| Hydrochloric Acid SCHEMBL23062917 | 0.77 | TSHR (0.40) | TSHRHTR2CFABP7FABP5DDB1 | |
| SCHEMBL22615941 | 0.76 | TACR1 (0.49) | TACR1L3MBTL1KMT2A |
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-3788043-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | Merck Sharp & Dohme Corp. (US) | 2021-03-10 | — | — | EP | disclosed |