Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8095608 | 0.97 | KDM4E (0.38) | KDM4EALDH1A1LMNAPOLBP2RX7 | |
| SCHEMBL8104780 | 0.85 | P2RX7 (0.45) | ALDH1A1P2RX7EPHX2 | |
| SCHEMBL8104812 | 0.81 | HSP90AA1 (0.37) | KDM4EALDH1A1P2RX7EPHX2HTT | |
| SCHEMBL6937092 | 0.69 | CNR2 (0.37) | P2RX7EPHX2 | |
| SCHEMBL7956634 | 0.68 | P2RX7 (0.72) | P2RX7EPHX2MAPK1 | |
| SCHEMBL7965604 | 0.65 | P2RX7 (0.71) | P2RX7EPHX2 | |
| SCHEMBL5075726 | 0.62 | DRD2 (0.61) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL21595615 | 0.61 | DRD2 (0.59) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| Formic Acid SCHEMBL5073493 | 0.61 | DRD2 (0.56) | KDM4EALDH1A1LMNAPOLBCYP1A2 | |
| SCHEMBL18295382 | 0.60 | HTR1B (0.52) | KDM4EALDH1A1LMNAPDK2 |
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-1036058-A1 | ADAMANTANE DERIVATIVES | AstraZeneca UK Limited (GB) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999029660-A1 | ADAMANTANE DERIVATIVES | ASTRAZENECA UK LIMITED (GB) | 1999-06-17 | — | — | WO | disclosed |