Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26561321 | 0.80 | TSHR (0.44) | TSHRALDH1A1CYP2A6ACHETDP1 | |
| SCHEMBL1538359 | 0.79 | TSHR (0.67) | TSHRALDH1A1ACHETDP1KIF11 | |
| SCHEMBL307338 | 0.78 | TSHR (0.52) | TSHRALDH1A1CYP2A6ACHETDP1 | |
| SCHEMBL18807490 | 0.75 | TSHR (0.48) | TSHRALDH1A1CYP2A6ACHETDP1 | |
| SCHEMBL12015995 | 0.74 | TSHR (0.48) | TSHRALDH1A1CYP2A6ACHETDP1 | |
| SCHEMBL11413652 | 0.74 | TSHR (0.60) | TSHRALDH1A1ACHETDP1KIF11 | |
| SCHEMBL23613796 | 0.73 | TSHR (0.46) | TSHRALDH1A1CYP2A6ACHETDP1 | |
| SCHEMBL27973295 | 0.73 | TSHR (0.41) | TSHRALDH1A1CYP2A6ACHETDP1 | |
| SCHEMBL8010878 | 0.71 | TSHR (0.44) | TSHRALDH1A1CYP2A6ACHETDP1 | |
| SCHEMBL4047321 | 0.71 | TSHR (0.50) | TSHRALDH1A1CYP2A6ACHETDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5274104-A | N-substituted heterocyclic derivatives useful in the treatment of cardiovascular disorders | ELF SANOFI, A FRENCH CORP. (FR) | 1993-12-28 | — | — | US | disclosed |