Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTO1 | P78417 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11527984 | 0.90 | GAA (0.47) | GSTO1GAACA12CA9CYP1A2 | |
| SCHEMBL11595503 | 0.88 | POLB (0.56) | GSTO1GAACA12CA9CYP1A2 | |
| SCHEMBL11555586 | 0.88 | GAA (0.50) | GSTO1GAACA12CA9CYP1A2 | |
| SCHEMBL11345142 | 0.83 | FABP4 (0.49) | GAACA12CA9CYP1A2CYP2C19 | |
| SCHEMBL5506453 | 0.83 | FABP4 (0.49) | GAACA12CA9CYP1A2CYP2C19 | |
| SCHEMBL11597826 | 0.82 | POLB (0.51) | GSTO1CYP1A2CYP2C19ALDH1A1TDP1 | |
| SCHEMBL10962880 | 0.82 | GSTO1 (0.62) | GSTO1CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL11595726 | 0.82 | F10 (0.46) | GSTO1GAACA12CA9CYP1A2 | |
| SCHEMBL11347459 | 0.81 | MEN1 (0.46) | GSTO1GAACA12CA9CYP1A2 | |
| SCHEMBL11353531 | 0.81 | MEN1 (0.46) | GSTO1GAACA12CA9CYP1A2 |
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-4125614-A | DIURETIC | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-11-14 | — | — | US | disclosed |
| US-4061761-A | Thiazolidine derivatives | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-12-06 | — | — | US | disclosed |