Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7698626 | 0.91 | GAA (0.49) | AKR1C2PTPN5KDM4EGAAMAPT | |
| SCHEMBL7693001 | 0.90 | AKR1C2 (0.49) | AKR1C2PTPN5KDM4EGAAMAPT | |
| SCHEMBL7699710 | 0.89 | AKR1C2 (0.46) | AKR1C2PTPN5KDM4EGAAMAPT | |
| SCHEMBL6013487 | 0.89 | AKR1C2 (0.46) | AKR1C2PTPN5KDM4EGAAMAPT | |
| SCHEMBL7698410 | 0.87 | AKR1C2 (0.46) | AKR1C2PTPN5KDM4EGAAMAPT | |
| SCHEMBL5810898 | 0.87 | PTGS1 (0.48) | AKR1C2PTPN5KDM4EGAAMAPT | |
| SCHEMBL7692673 | 0.87 | AKR1C2 (0.45) | AKR1C2PTPN5KDM4EGAAMAPT | |
| SCHEMBL9017495 | 0.83 | PPARG (0.46) | PPARG | |
| SCHEMBL8804815 | 0.82 | SMN1; SMN2 (0.43) | GAAMAPTALDH1A1POLBMEN1 | |
| SCHEMBL2003508 | 0.82 | AKR1C2 (0.53) | AKR1C2PTPN5KDM4EGAAMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002020478-A1 | N-BENZYLINDOLE-3-ACETIC ACID DERIVATIVES FOR USE IN THE TREATMENT OF DRUG RESISTAN CANCER | DUBLIN CITY UNIVERSITY (IE) | 2002-03-14 | — | — | WO | disclosed |