Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30753724 | 0.83 | IDO1 (0.50) | TAAR1LOXL2IDO1ALDH1A1HPGD | |
| SCHEMBL5978403 | 0.80 | IDO1 (0.41) | LOXL2IDO1ALDH1A1HPGDTP53 | |
| SCHEMBL14443962 | 0.80 | PSMD14 (0.42) | IDO1ALDH1A1HPGDTP53KMT2A | |
| SCHEMBL5167680 | 0.79 | TAAR1 (0.53) | TAAR1IDO1MAOBKMT2A | |
| SCHEMBL10435945 | 0.79 | CYP2C19 (0.52) | TAAR1LOXL2IDO1ALDH1A1HPGD | |
| SCHEMBL487139 | 0.78 | ALDH1A1 (0.55) | TAAR1LOXL2IDO1ALDH1A1HPGD | |
| SCHEMBL5394344 | 0.75 | IDO1 (0.48) | LOXL2IDO1ALDH1A1HPGDTP53 | |
| SCHEMBL5979619 | 0.75 | IDO1 (0.44) | LOXL2IDO1ALDH1A1HPGDMAOB | |
| SCHEMBL5178862 | 0.74 | CYP2C19 (0.56) | ALDH1A1TP53KMT2AFOLH1 | |
| SCHEMBL20685696 | 0.73 | MAOB (0.53) | TAAR1LOXL2IDO1ALDH1A1HPGD |
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-1663958-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005028429-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |