Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 5/20 | 0.51 |
| ▸ | CA2 | P00918 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6310817 | 0.89 | LOXL2 (0.56) | LOXL2CYP4A11CA1CA2HPGD | |
| SCHEMBL3114984 | 0.85 | LOXL2 (0.58) | LOXL2CYP4A11CA1CA2HPGD | |
| SCHEMBL4430709 | 0.85 | LOXL2 (0.58) | LOXL2CYP4A11CA1CA2HPGD | |
| SCHEMBL4676199 | 0.83 | TSHR (0.50) | TSHRMAPTNPC1L3MBTL1ALDH1A1 | |
| SCHEMBL8231068 | 0.82 | CYP2C19 (0.50) | CA1CA2TSHRMAPTL3MBTL1 | |
| SCHEMBL2716941 | 0.82 | ALDH1A1 (0.51) | TSHRMAPTNPC1L3MBTL1ALDH1A1 | |
| SCHEMBL5055898 | 0.82 | TSHR (0.68) | HPGDTSHRMAPTL3MBTL1GAA | |
| SCHEMBL21117774 | 0.82 | TSHR (0.49) | TSHRMAPTL3MBTL1 | |
| SCHEMBL6075832 | 0.82 | TSHR (0.68) | HPGDTSHRMAPTL3MBTL1GAA | |
| SCHEMBL5065975 | 0.82 | TSHR (0.68) | HPGDTSHRMAPTL3MBTL1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017214359-A1 | NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS | VENENUM BIODESIGN LLC (US) | 2017-12-14 | — | — | WO | disclosed |