Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1224697 | 0.79 | CA1 (0.62) | CA1CA2CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL29379546 | 0.79 | CA1 (0.68) | CA1CA2CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL17753399 | 0.77 | CA1 (0.59) | CA1CA2CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL220910 | 0.72 | CA1 (1.00) | CA1CA2CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL22804025 | 0.72 | CA1 (1.00) | CA1CA2CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL16790391 | 0.72 | CA1 (0.74) | CA1CA2CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL9172842 | 0.71 | CA1 (0.56) | CA1CA2CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL673373 | 0.70 | CA1 (0.93) | CA1CA2CYP2C9CYP1A2CYP2C19 | |
| Methane SCHEMBL28825813 | 0.70 | CA1 (0.93) | CA1CA2CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL7131479 | 0.70 | CA1 (0.42) | CA1CA2CYP2C9CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1155073-A1 | PLASTIC MOULDING MATERIALS WHICH CAN BE DETECTED BY X-RAY CONTRAST | Bayer Aktiengesellschaft (DE) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000036002-A1 | PLASTIC MOULDING MATERIALS WHICH CAN BE DETECTED BY X-RAY CONTRAST | BAYER AKTIENGESELLSCHAFT (DE) | 2000-06-22 | — | — | WO | disclosed |