Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2189922 | 0.86 | CYP1A2 (0.55) | ALDH1A1CYP1A2TSHRGAAMGAM | |
| SCHEMBL9625665 | 0.85 | GAA (0.40) | ALDH1A1TP53CYP1A2TSHRGAA | |
| SCHEMBL21069919 | 0.84 | GAA (0.50) | ALDH1A1CYP1A2TSHRGAAMGAM | |
| SCHEMBL9316839 | 0.83 | TSHR (0.44) | ALDH1A1CYP1A2TSHRGAAMGAM | |
| SCHEMBL24882784 | 0.82 | GAA (0.48) | ALDH1A1CYP1A2TSHRGAAMGAM | |
| SCHEMBL21070768 | 0.82 | CES2 (0.52) | ALDH1A1CYP1A2TSHRGAAMGAM | |
| Hydrochloric Acid SCHEMBL8988950 | 0.81 | TSHR (0.43) | ALDH1A1CYP1A2TSHRGAAMGAM | |
| SCHEMBL17629543 | 0.81 | TSHR (0.50) | ALDH1A1CYP1A2TSHRGAAMGAM | |
| SCHEMBL2285210 | 0.81 | GAA (0.43) | ALDH1A1CYP1A2TSHRGAAMGAM | |
| SCHEMBL546058 | 0.80 | CES2 (0.50) | ALDH1A1CYP1A2TSHRGAAMGAM |
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-5488140-A | ANTICONVULSANTS | CIBA-GEIGY CORPORATION (US) | 1996-01-30 | — | — | US | disclosed |
| US-5294734-A | 1-phosphato-4-amino-pent-2-enoic acids and derivatives | CIBA-GEIGY CORP. (US) | 1994-03-15 | — | — | US | disclosed |