Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | LDHA | P00338 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7839814 | 0.88 | HPGD (0.45) | ALDH1A1POLBHTT | |
| SCHEMBL15448867 | 0.86 | PPARA (0.43) | ALDH1A1LDHA | |
| SCHEMBL8974036 | 0.85 | LDHA (0.57) | ALDH1A1LDHACA2POLBCA12 | |
| SCHEMBL6374373 | 0.85 | PPARA (0.53) | ALDH1A1LDHAPOLB | |
| SCHEMBL27665868 | 0.84 | ALDH1A1 (0.53) | ALDH1A1LDHACA2POLBCA12 | |
| SCHEMBL10891030 | 0.84 | ALDH1A1 (0.53) | ALDH1A1LDHACA2POLBCA12 | |
| Hydrochloric Acid SCHEMBL11026048 | 0.83 | ALDH1A1 (0.51) | ALDH1A1LDHACA2POLBCA12 | |
| Hydrochloric Acid SCHEMBL11026045 | 0.83 | ALDH1A1 (0.51) | ALDH1A1LDHACA2POLBCA12 | |
| SCHEMBL11509018 | 0.82 | PTPRB (0.47) | CA2CA1 | |
| SCHEMBL5835113 | 0.82 | ALDH1A1 (0.50) | ALDH1A1LDHACA2POLBCA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103463086-B | Pyrazolone derivatives as PDE4 inhibitors | TAKEDA GMBH (DE) | 2015-10-21 | — | — | CN | disclosed |
| US-7355053-B2 | 1-phenylpyrrolidine-2-one-3-carboxamides | BASF AKTIENGESELLSCHAFT (DE) | 2008-04-08 | — | — | US | disclosed |
| US-7355053-B2 | 1-phenylpyrrolidine-2-one-3-carboxamides | BASF AKTIENGESELLSCHAFT (DE) | 2008-04-08 | — | — | US | disclosed |