Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | CDC25A | P30304 | 1/20 | 0.30 |
| ▸ | CDC25B | P30305 | 1/20 | 0.30 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.30 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7707033 | 0.81 | HPGDS (0.38) | HPGDSALDH1A1HDAC1HDAC6HDAC3 | |
| SCHEMBL7465829 | 0.81 | ALDH1A1 (0.37) | HPGDSKDM4EALDH1A1SCN9ATLR7 | |
| SCHEMBL3065517 | 0.74 | MAPT (0.54) | ALDH1A1 | |
| SCHEMBL27609155 | 0.74 | ALDH1A1 (0.46) | HPGDSKDM4EALDH1A1TLR7L3MBTL1 | |
| SCHEMBL5201609 | 0.74 | HPGDS (0.42) | HPGDSKDM4EALDH1A1TLR7HDAC1 | |
| SCHEMBL5164159 | 0.73 | NPC1 (0.40) | KDM4EALDH1A1HDAC1L3MBTL1 | |
| SCHEMBL3062139 | 0.73 | HTR2B (0.48) | HPGDSKDM4EALDH1A1SCN9ATLR7 | |
| SCHEMBL5869050 | 0.71 | ALDH1A1 (0.36) | HPGDSKDM4EALDH1A1HPGDABCB1 | |
| SCHEMBL6608498 | 0.71 | KDM4E (0.47) | KDM4EALDH1A1 | |
| SCHEMBL5868797 | 0.70 | CHEK1 (0.44) | ALDH1A1HPGDABCB1L3MBTL1 |
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-1224175-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029012-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |