Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15219284 | 0.80 | DPP4 (0.47) | MEN1KMT2ADPP4ALDH1A1POLB | |
| SCHEMBL4369262 | 0.79 | MEN1 (0.53) | MEN1KMT2AUSP2CASP1BRCA1 | |
| SCHEMBL30725967 | 0.79 | MEN1 (0.53) | MEN1KMT2AUSP2CASP1BRCA1 | |
| SCHEMBL11916140 | 0.76 | CA2 (0.34) | PARP1MEN1KMT2AUSP2CASP1 | |
| SCHEMBL25767173 | 0.73 | PARP1 (0.57) | PARP1KMT2ATDP2 | |
| SCHEMBL25772610 | 0.73 | POLB (0.37) | PARP1MEN1KMT2AALDH1A1POLB | |
| SCHEMBL11093043 | 0.72 | HSPA1A (0.33) | MEN1KMT2AUSP2CASP1BRCA1 | |
| SCHEMBL24265738 | 0.70 | POLB (0.50) | MEN1KMT2AALDH1A1POLB | |
| SCHEMBL6362382 | 0.69 | CES1 (0.48) | CES1BCHEALDH1A1MAPTHPGD | |
| SCHEMBL11068602 | 0.69 | ALDH1A1 (0.54) | MEN1KMT2AUSP2CES1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3210609-A1 | PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS | ARIAD PHARMACEUTICALS, INC. (US) | 2017-08-30 | — | — | EP | disclosed |