Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGM | P11217 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | CA7 | P43166 | 3/20 | 0.31 |
| ▸ | CA9 | Q16790 | 3/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9671898 | 0.81 | PYGM (0.43) | PYGMALDH1A1CHRM3SLC6A3TSHR | |
| SCHEMBL12493386 | 0.75 | TSHR (0.41) | ALDH1A1CHRM3SLC6A3TSHRSLC6A2 | |
| SCHEMBL14502255 | 0.71 | SMN1; SMN2 (0.40) | ALDH1A1SLC6A3TSHRTDP1SMN1; SMN2 | |
| SCHEMBL15457433 | 0.67 | LMNA (0.39) | ALDH1A1SLC6A3TSHRSLC6A2SLC6A4 | |
| SCHEMBL10482141 | 0.64 | CHRM3 (0.41) | ALDH1A1CHRM3TSHRCA12CA1 | |
| SCHEMBL7718910 | 0.64 | CHRM3 (0.37) | CHRM3TSHRCA12CA1CA2 | |
| SCHEMBL7324854 | 0.64 | TSHR (0.42) | PYGMALDH1A1CYP2C9CYP2C19TSHR | |
| SCHEMBL11755378 | 0.62 | NPSR1 (0.46) | SLC6A3TSHRSLC6A2SLC6A4CA12 | |
| SCHEMBL5607056 | 0.62 | NPSR1 (0.46) | SLC6A3TSHRSLC6A2SLC6A4CA12 | |
| SCHEMBL11755388 | 0.62 | NPSR1 (0.46) | SLC6A3TSHRSLC6A2SLC6A4CA12 |
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-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |