Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL3800733 | 0.95 | TDP1 (0.41) | KAT2BL3MBTL1TDP1LIPGBID | |
| SCHEMBL7857178 | 0.93 | LIPG (0.44) | KAT2BL3MBTL1TDP1LIPGBID | |
| SCHEMBL7089971 | 0.89 | GRM5 (0.42) | GAATRIM24TRIM33GRM5ALDH1A1 | |
| SCHEMBL10968269 | 0.84 | TRIM24 (0.35) | L3MBTL1GAATRIM24TRIM33NPC1 | |
| SCHEMBL6115316 | 0.83 | TRIM24 (0.39) | L3MBTL1TRIM24TRIM33NPC1ALDH1A1 | |
| SCHEMBL28102473 | 0.83 | CYP2D6 (0.40) | CYP3A4CYP2D6CYP2C9KAT2BL3MBTL1 | |
| Benzene SCHEMBL11824212 | 0.80 | TRIM24 (0.37) | L3MBTL1GAATRIM24TRIM33NPC1 | |
| SCHEMBL3803823 | 0.79 | TRIM24 (0.36) | L3MBTL1GAATRIM24TRIM33NPC1 | |
| SCHEMBL18995128 | 0.79 | TKT (0.37) | L3MBTL1GAATRIM24TRIM33NPC1 | |
| SCHEMBL9466495 | 0.78 | THRA (0.41) | CYP3A4CYP2D6CYP2C9KAT2BL3MBTL1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101103008-A | Macrocyclic compounds useful as bace inhibitors | NOVARTIS AG (CH) | 2008-01-09 | — | — | CN | disclosed |
| CN-1535958-A | Alpha-substituted pyrimidine. thioalkyl and alkyl ether compound | �������Ŷ���Լ��������˾ | 2004-10-13 | — | — | CN | disclosed |
| CN-1152022-C | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | �������Ŷ���Լ��������˾ | 2004-06-02 | — | — | CN | disclosed |
| WO-2003084662-A2 | COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS | CELANESE VENTURES GMBH (DE) | 2003-10-16 | — | — | WO | disclosed |
| EP-1317445-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002022600-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2002-03-21 | — | — | WO | disclosed |
| CN-1183773-A | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | UPJOHN CO (US) | 1998-06-03 | — | — | CN | disclosed |
| EP-0129791-A2 | Tetrahydropyridazinone derivatives, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1985-01-02 | — | — | EP | disclosed |