Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | CASP7 | P55210 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8149911 | 0.87 | HTR3A (0.35) | KDM4EGAAALDH1A1CASP7MEN1 | |
| SCHEMBL8142479 | 0.86 | KDM4E (0.36) | KDM4EGAAALDH1A1CASP7MEN1 | |
| SCHEMBL8143033 | 0.82 | RAPGEF3 (0.35) | KDM4EALDH1A1CASP7MEN1KMT2A | |
| SCHEMBL8158627 | 0.82 | MEN1 (0.32) | KDM4EALDH1A1MEN1KMT2AHSD17B10 | |
| SCHEMBL8145063 | 0.80 | KDM4E (0.34) | KDM4EGAAALDH1A1CASP7MEN1 | |
| SCHEMBL8153958 | 0.79 | KDM4E (0.41) | KDM4EGAAALDH1A1CASP7MEN1 | |
| SCHEMBL8151627 | 0.79 | KMT2A (0.35) | GAAKMT2A | |
| SCHEMBL8151629 | 0.79 | KMT2A (0.35) | GAAKMT2A | |
| SCHEMBL8134922 | 0.79 | METAP2 (0.35) | KDM4E | |
| SCHEMBL8149715 | 0.79 | IDO1 (0.36) | KDM4EGAAALDH1A1MEN1KMT2A |
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-1019380-A2 | TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS | PHARMACIA & UPJOHN S.p.A. (IT) | 2000-07-19 | — | — | EP | claimed |
| WO-1999016753-A2 | TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-04-08 | — | — | WO | claimed |