Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 2/20 | 0.56 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.56 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27978224 | 0.89 | ALDH1A1 (0.50) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 | |
| SCHEMBL3583575 | 0.84 | SLC1A3 (0.45) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 | |
| SCHEMBL1231110 | 0.83 | SLC1A1 (0.59) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 | |
| SCHEMBL18925989 | 0.82 | SLC1A1 (0.59) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 | |
| SCHEMBL3581960 | 0.82 | SPHK2 (0.46) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL9760378 | 0.82 | SLC1A1 (0.58) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 | |
| SCHEMBL376695 | 0.81 | SLC1A3 (0.53) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 | |
| SCHEMBL18381513 | 0.81 | SLC1A3 (0.53) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 | |
| SCHEMBL204704 | 0.81 | SLC1A3 (0.53) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 | |
| SCHEMBL26963671 | 0.81 | SLC1A3 (0.53) | SLC1A3SLC1A2SLC1A1KMT2AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| EP-1204652-A1 | NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001009110-A1 | NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-02-08 | — | — | WO | disclosed |
| CN-1234031-A | Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the prodn. of tumor necrosis factor (TNF) | PFIZER (US) | 1999-11-03 | — | — | CN | disclosed |