Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HK1 | P19367 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8154171 | 0.84 | PDE10A (0.33) | ALDH1A1SMN1; SMN2HK1HKDC1KCNH2 | |
| SCHEMBL8144872 | 0.84 | FDPS (0.39) | ALDH1A1SMN1; SMN2HK1HKDC1KCNH2 | |
| SCHEMBL8150532 | 0.82 | CNR2 (0.34) | ALDH1A1SMN1; SMN2HK1HKDC1KCNH2 | |
| SCHEMBL8157833 | 0.80 | HTR3A (0.38) | ALDH1A1SMN1; SMN2KDM4EMAPTHPGD | |
| SCHEMBL8149849 | 0.80 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2HK1HKDC1KCNH2 | |
| SCHEMBL8154303 | 0.79 | FDPS (0.47) | ALDH1A1SMN1; SMN2FDPSKDM4ETDP1 | |
| SCHEMBL8156586 | 0.78 | FDPS (0.39) | ALDH1A1FDPSKDM4ETDP1MAPT | |
| SCHEMBL8158980 | 0.76 | HPGD (0.47) | ALDH1A1SMN1; SMN2KDM4EMAPTHPGD | |
| SCHEMBL8158984 | 0.76 | HPGD (0.47) | ALDH1A1SMN1; SMN2KDM4EMAPTHPGD | |
| SCHEMBL8152609 | 0.75 | CTNNB1 (0.34) | ALDH1A1SMN1; SMN2FDPSKDM4ETDP1 |
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 |