Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8925682 | 0.94 | ADORA1 (0.47) | ADORA1KDM4ECA1CA2CYP1A2 | |
| SCHEMBL8923261 | 0.80 | KDM4E (0.50) | KDM4ECA1CA2CYP1A2POLB | |
| SCHEMBL14795569 | 0.77 | CHEK1 (0.66) | — | |
| SCHEMBL8923426 | 0.76 | CYP1A2 (0.48) | ADORA1KDM4ECA1CA2CYP1A2 | |
| SCHEMBL8925015 | 0.75 | KDM4E (0.50) | KDM4ECA1CA2CYP1A2POLB | |
| SCHEMBL8923642 | 0.75 | KDM4E (0.53) | KDM4ECA1CA2CYP1A2POLB | |
| SCHEMBL8925077 | 0.74 | MAPT (0.51) | KDM4ECA1CA2CYP1A2POLB | |
| SCHEMBL8923512 | 0.73 | KDM4E (0.51) | KDM4ECA1CA2CYP1A2POLB | |
| SCHEMBL8925097 | 0.73 | KDM4E (0.53) | KDM4ECA1CA2CYP1A2POLB | |
| SCHEMBL8924857 | 0.72 | ALDH1A1 (0.52) | KDM4ECA1CA2CYP1A2POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-5614532-A | NERVOUS SYSTEM DISORDERS USING N-METHYLASPARTATE ANTAGONIST | MERCK, SHARP & DOHME LTD. (GB) | 1997-03-25 | — | — | US | disclosed |