Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21540225 | 1.00 | CA1 (0.35) | CA1CA2ECE1LMNACA12 | |
| SCHEMBL27534582 | 0.87 | CA1 (0.39) | CA1CA2ECE1LMNACA12 | |
| SCHEMBL22215185 | 0.84 | CA1 (0.34) | CA1CA2ECE1EPHX1ACE | |
| SCHEMBL4576097 | 0.84 | CA1 (0.34) | CA1CA2ECE1EPHX1ACE | |
| SCHEMBL14218915 | 0.83 | TDP1 (0.33) | TDP1ALDH1A1MMP1MMP2MMP3 | |
| SCHEMBL10206347 | 0.83 | TDP1 (0.33) | TDP1ALDH1A1MMP1MMP2MMP3 | |
| SCHEMBL21310150 | 0.81 | TGFBR1 (0.43) | CA1CA2ECE1CA12CA9 | |
| SCHEMBL21844006 | 0.81 | TGFBR1 (0.43) | CA1CA2ECE1CA12CA9 | |
| SCHEMBL16710264 | 0.81 | TGFBR1 (0.43) | CA1CA2ECE1CA12CA9 | |
| SCHEMBL22215178 | 0.80 | CA1 (0.32) | CA1CA2ECE1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3030556-B1 | SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS | UNIV DARMSTADT TECH (DE) | 2019-10-30 | — | — | EP | disclosed |