Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX1 | P51575 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL4346974 | 0.90 | P2RX1 (0.51) | P2RX1MEN1KMT2AHTTLMNA | |
| SCHEMBL4342020 | 0.79 | MAPT (0.57) | P2RX1MEN1KMT2AHTTLMNA | |
| SCHEMBL4353654 | 0.78 | MAPT (0.49) | MEN1KMT2AHTTLMNAMAPT | |
| SCHEMBL10882608 | 0.76 | APEX1 (0.50) | P2RX1MEN1KMT2AHTTLMNA | |
| SCHEMBL4345763 | 0.76 | MAPK1 (0.43) | P2RX1MEN1KMT2AHTTLMNA | |
| SCHEMBL4344002 | 0.76 | PPIA (0.56) | P2RX1MEN1KMT2AHTTLMNA | |
| SCHEMBL4345489 | 0.75 | CA12 (0.47) | P2RX1MEN1KMT2ALMNAMAPT | |
| SCHEMBL4356349 | 0.75 | MEN1 (0.62) | P2RX1MEN1KMT2AHTTLMNA | |
| SCHEMBL6975312 | 0.72 | MAPT (0.54) | P2RX1MEN1KMT2AHTTLMNA | |
| SCHEMBL6975308 | 0.72 | MAPT (0.54) | P2RX1MEN1KMT2AHTTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |