Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 2/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | LATS1 | O95835 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9287004 | 0.81 | TOP1 (0.53) | TOP1ABCG2HDAC3HDAC1HDAC2 | |
| SCHEMBL31590241 | 0.79 | CA1 (0.47) | CA1CA2HDAC3HDAC1HDAC2 | |
| SCHEMBL8907679 | 0.77 | TOP1 (0.52) | TOP1ABCG2CYCS | |
| SCHEMBL31203373 | 0.76 | CA1 (0.61) | CA1CA2CYP17A1GBA1CYP3A4 | |
| SCHEMBL7241022 | 0.75 | TOP1 (0.58) | TOP1ABCG2HDAC3HDAC1HDAC2 | |
| SCHEMBL9429433 | 0.74 | TOP1 (0.60) | TOP1ABCG2CYCS | |
| SCHEMBL9909807 | 0.72 | ALDH1A1 (0.50) | CA1CA2TOP1ABCG2HDAC3 | |
| SCHEMBL6639990 | 0.72 | MAPK14 (0.61) | CA1CA2GBA1CYP3A4LATS1 | |
| SCHEMBL16377635 | 0.71 | CA1 (0.70) | CA1CA2GBA1CYP3A4HDAC3 | |
| SCHEMBL22975096 | 0.71 | CA1 (0.70) | CA1CA2HDAC3HDAC1HDAC2 |
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-0345171-B1 | Metalloporphyrine derivatives, their therapeutical use and their use in the preparation of hybrid molecules | CENTRE NAT RECH SCIENT (FR) | 1995-12-13 | — | — | EP | disclosed |
| EP-0345171-A1 | Metalloporphyrine derivatives, their therapeutical use and their use in the preparation of hybrid molecules | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1989-12-06 | — | — | EP | disclosed |