Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 2/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL10566239 | 0.98 | MAP3K5 (0.45) | MAP3K5DHFRNUDT1ACHEL3MBTL1 | |
| SCHEMBL22637204 | 0.76 | DHFR (0.44) | DHFRACHEKMT2ACYP1A2CYP3A4 | |
| SCHEMBL29656566 | 0.76 | DHFR (0.59) | DHFRNUDT1ACHEADORA2APIK3CG | |
| SCHEMBL1260043 | 0.76 | DHFR (0.59) | DHFRNUDT1ACHEADORA2APIK3CG | |
| SCHEMBL20115757 | 0.73 | CYP1A2 (0.58) | NUDT1ACHEL3MBTL1KDM4EADORA2A | |
| SCHEMBL9460903 | 0.73 | DHFR (0.47) | DHFRNUDT1ACHEL3MBTL1KDM4E | |
| SCHEMBL10561684 | 0.73 | DHFR (0.47) | DHFRNUDT1ACHEL3MBTL1KDM4E | |
| SCHEMBL10564855 | 0.73 | DHFR (0.47) | DHFRNUDT1ACHEL3MBTL1ADORA2A | |
| SCHEMBL6837607 | 0.73 | TP53 (0.42) | L3MBTL1KDM4EKMT2ACYP1A2CYP2C19 | |
| SCHEMBL10562546 | 0.72 | DHFR (0.44) | DHFRACHEABCG2CYP1A2CYP2C19 |
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-4826528-A | PLANT GROWTH REGULATORS | CELAMERCK GMBH & CO. KG. (DE) | 1989-05-02 | — | — | US | disclosed |