Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GLS | O94925 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6602876 | 0.87 | POLB (0.41) | GAACTSKTDP1TSHRL3MBTL1 | |
| SCHEMBL290981 | 0.87 | TDP1 (0.50) | GAACTSKTDP1TSHRL3MBTL1 | |
| Water SCHEMBL2946569 | 0.86 | TDP1 (0.49) | GAACTSKTDP1TSHRL3MBTL1 | |
| SCHEMBL8442319 | 0.84 | KMT2A (0.53) | TDP1L3MBTL1ALDH1A1MAPK1NPC1 | |
| SCHEMBL8442388 | 0.84 | KMT2A (0.53) | TDP1L3MBTL1ALDH1A1MAPK1NPC1 | |
| SCHEMBL5774552 | 0.82 | EPHX1 (0.43) | ALDH1A1SMN1; SMN2POLBCYP1A2CYP2C19 | |
| Hexane SCHEMBL28121925 | 0.79 | CTSK (0.45) | CTSKALDH1A1RECQL | |
| SCHEMBL8951255 | 0.79 | CA12 (0.50) | CTSKNPC1RAB9A | |
| SCHEMBL9218191 | 0.79 | CA12 (0.50) | CTSKNPC1RAB9A | |
| SCHEMBL6342947 | 0.79 | CA12 (0.50) | CTSKNPC1RAB9A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2925746-A1 | SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2015-10-07 | — | — | EP | disclosed |
| EP-2906581-A1 | KETOAMIDE IMMUNOPROTEASOME INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2015-08-19 | — | — | EP | disclosed |
| EP-2906582-A1 | MACROCYCLIC KETOAMIDE IMMUNOPROTEASOME INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2015-08-19 | — | — | EP | disclosed |
| WO-2014086663-A1 | SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-06-12 | — | — | WO | disclosed |
| WO-2014056748-A1 | KETOAMIDE IMMUNOPROTEASOME INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-04-17 | — | — | WO | disclosed |
| WO-2014056954-A1 | MACROCYCLIC KETOAMIDE IMMUNOPROTEASOME INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-04-17 | — | — | WO | disclosed |
| EP-1713470-A1 | THERAPEUTIC COMBINATIONS | Pfizer, Inc. (US) | 2006-10-25 | — | — | EP | disclosed |
| EP-1713478-A1 | COMPOSITIONS COMPRISING HIV PROTEASE INHIBITOR AND CYTOCHROME P450 ENZYME ACTIVITY INHIBITOR | PFIZER INC. (US) | 2006-10-25 | — | — | EP | disclosed |
| EP-1694657-A1 | COMPOSITIONS COMPRISING AN HIV PROTEASE INHIBITOR | PFIZER INC. (US) | 2006-08-30 | — | — | EP | disclosed |
| EP-1692119-A1 | METHODS OF PREPARING COMPOUNDS USEFUL AS PROTEASE INHIBITORS | PFIZER INC. (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005082364-A1 | COMPOSITIONS COMPRISING HIV PROTEASE INHIBITOR AND CYTOCHROME P450 ENZYME ACTIVITY INHIBITOR | PFIZER INC. (US) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005082362-A1 | THERAPEUTIC COMBINATIONS | PFIZER INC. (US) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005056542-A1 | COMPOSITIONS COMPRISING AN HIV PROTEASE INHIBITOR | PFIZER INC. (US) | 2005-06-23 | — | — | WO | disclosed |
| WO-2005054214-A1 | METHODS OF PREPARING COMPOUNDS USEFUL AS PROTEASE INHIBITORS | PFIZER INC. (US) | 2005-06-16 | — | — | WO | disclosed |
| EP-0832066-A1 | SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS | PFIZER INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996039385-A1 | SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS | PFIZER INC. (US) | 1996-12-12 | — | — | WO | disclosed |