Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7405370 | 1.00 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1PARP10NPC1 | |
| SCHEMBL2808822 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1NPC1RAB9A | |
| SCHEMBL981849 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1NPC1RAB9A | |
| Carbamic Acid SCHEMBL28101020 | 0.77 | SLC1A3 (0.47) | ALDH1A1MAPK1L3MBTL1PARP10NPC1 | |
| SCHEMBL27671120 | 0.77 | ALDH1A1 (0.47) | ALDH1A1PARP10NPC1RAB9AHCAR2 | |
| SCHEMBL27866145 | 0.77 | PARP10 (0.47) | ALDH1A1MAPK1L3MBTL1PARP10NPC1 | |
| SCHEMBL28343510 | 0.76 | KMT2A (0.50) | ALDH1A1MAPK1L3MBTL1NPC1RAB9A | |
| Oxalic Acid SCHEMBL28207256 | 0.75 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1NPC1RAB9A | |
| SCHEMBL3463121 | 0.74 | HCAR2 (0.47) | ALDH1A1MAPK1L3MBTL1PARP10NPC1 | |
| SCHEMBL23580401 | 0.74 | CES1 (0.44) | ALDH1A1MAPK1L3MBTL1HCAR2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6468977-B1 | COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS | APOTEX INC. (CA) | 2002-10-22 | — | — | US | disclosed |
| WO-2001090095-A1 | THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES | APOTEX INC. (CA) | 2001-11-29 | — | — | WO | disclosed |