Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3798330 | 0.89 | GAA (0.43) | TDP1PARP10CA12CA1CA2 | |
| SCHEMBL6510520 | 0.85 | AKR1C3 (0.53) | CA1CA2RAB9APAX8NPSR1 | |
| SCHEMBL10585646 | 0.84 | CNR2 (0.51) | TDP1PARP10LMNARAB9APAX8 | |
| SCHEMBL6532532 | 0.81 | AKR1C3 (0.50) | MAPTAKR1C3AKR1C2PTGS2 | |
| SCHEMBL3796271 | 0.81 | CA12 (0.44) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL6510946 | 0.81 | SRC (0.50) | AKR1C3AKR1C2ALDH1A1PTGS2 | |
| SCHEMBL6511991 | 0.80 | AKR1C3 (0.51) | CA12CA1CA2CA9AKR1C3 | |
| SCHEMBL6514821 | 0.80 | AKR1C3 (0.51) | AKR1C3AKR1C2 | |
| SCHEMBL27491723 | 0.79 | CA12 (0.47) | TDP1CA12CA1CA2CA7 | |
| SCHEMBL3791834 | 0.79 | CA12 (0.53) | CA12CA1CA2CA9AKR1C3 |
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-2005037828-A1 | NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT | LG LIFE SCIENCES LTD. (KR) | 2005-04-28 | — | — | WO | claimed |
| WO-2005051941-A1 | THIONE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | CJ CORPORATION (KR) | 2005-06-09 | — | — | WO | disclosed |