Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 4/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8931366 | 0.91 | ALDH1A1 (0.47) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL16604233 | 0.78 | HSP90AB1 (0.55) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL14345520 | 0.78 | ALDH1A1 (0.36) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL8931390 | 0.75 | HSP90AA1 (0.41) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL931110 | 0.74 | PARP1 (0.45) | NPSR1ALDH1A1SMN1; SMN2LMNADRD4 | |
| SCHEMBL12046244 | 0.72 | KDM4E (0.43) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL8931120 | 0.72 | KDM4E (0.44) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL12046213 | 0.72 | KDM4E (0.44) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL12046223 | 0.72 | KDM4E (0.44) | KDM4ENPSR1ALDH1A1HPGDMAPT | |
| SCHEMBL12046185 | 0.72 | KDM4E (0.43) | KDM4ENPSR1ALDH1A1HPGDMAPT |
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-2008021364-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. (US) | 2008-02-21 | — | — | WO | disclosed |