Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8150532 | 0.84 | CNR2 (0.34) | ALDH1A1KDM4EHSD17B10SMN1; SMN2MEN1 | |
| SCHEMBL8158820 | 0.83 | HTR3A (0.42) | HTR3AGAAALDH1A1MAPTKDM4E | |
| SCHEMBL8156861 | 0.80 | ALDH1A1 (0.41) | GAAALDH1A1MAPTKDM4EGLA | |
| SCHEMBL8143240 | 0.78 | HTR3A (0.36) | HTR3AGAAALDH1A1MAPTKDM4E | |
| SCHEMBL8159022 | 0.78 | HDAC3 (0.38) | HTR3AGAAALDH1A1MAPTKDM4E | |
| SCHEMBL8159020 | 0.78 | HDAC3 (0.38) | HTR3AGAAALDH1A1MAPTKDM4E | |
| SCHEMBL8149911 | 0.76 | HTR3A (0.35) | HTR3AGAAALDH1A1MAPTKDM4E | |
| SCHEMBL8154171 | 0.75 | PDE10A (0.33) | GAAALDH1A1MAPTHSD17B10SMN1; SMN2 | |
| SCHEMBL8144872 | 0.68 | FDPS (0.39) | ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL8149849 | 0.67 | ALDH1A1 (0.42) | HTR3AALDH1A1MAPTKDM4ESMN1; SMN2 |
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 | disclosed |
| WO-1999016753-A2 | TRICYCLIC 3-OXO-PROPANENITRILE COMPOUNDS | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-04-08 | — | — | WO | disclosed |