Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEU3 | Q9UQ49 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 9/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9535456 | 0.87 | AKR1C3 (0.60) | ALDH1A1AKR1C3AKR1C2SMN1; SMN2AKR1B10 | |
| SCHEMBL567311 | 0.83 | NEU3 (0.63) | NEU3ALDH1A1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL29791247 | 0.83 | NEU3 (0.63) | NEU3ALDH1A1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL5329433 | 0.80 | NEU3 (0.60) | NEU3ALDH1A1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL17973442 | 0.80 | METAP2 (0.51) | ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL6307782 | 0.80 | KDM4E (0.62) | NEU3ALDH1A1KMT2AAKR1C3AKR1C2 | |
| SCHEMBL3528076 | 0.79 | NEU3 (0.58) | NEU3SMN1; SMN2KDM4EHSD17B10HTT | |
| SCHEMBL5322418 | 0.79 | NEU3 (0.58) | NEU3ALDH1A1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL1285263 | 0.78 | SMN1; SMN2 (0.64) | ALDH1A1KMT2AAKR1C3AKR1C2SMN1; SMN2 | |
| SCHEMBL7012306 | 0.78 | NEU3 (0.56) | NEU3ALDH1A1KMT2AAKR1C3AKR1C2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |