Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | LIFR | P42702 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4083201 | 0.79 | NR1H4 (0.52) | ALDH1A1GAAMAPTPOLBNR1H4 | |
| SCHEMBL3665206 | 0.78 | DPP4 (0.43) | TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL3663700 | 0.77 | HDAC4 (0.47) | ALDH1A1LMNAMAPTL3MBTL1NPC1 | |
| SCHEMBL494436 | 0.76 | ALDH1A1 (0.47) | ALDH1A1GAALMNAMAPTPOLB | |
| SCHEMBL3664535 | 0.73 | MCL1 (0.56) | ALDH1A1LMNAMAPTTSHRL3MBTL1 | |
| SCHEMBL3661383 | 0.73 | RAB9A (0.57) | ALDH1A1GAALMNAMAPTTSHR | |
| SCHEMBL9782415 | 0.72 | POLB (0.56) | ALDH1A1GAALMNAMAPTPOLB | |
| SCHEMBL11555365 | 0.72 | AKR1B1 (0.51) | ALDH1A1GAALMNAMAPTTSHR | |
| SCHEMBL3667161 | 0.71 | ALDH1A1 (0.59) | ALDH1A1GAAMAPTPOLBTSHR | |
| SCHEMBL3664746 | 0.69 | HDAC4 (0.49) | LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2139851-A2 | SUBSTITUTED AMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2010-01-06 | — | — | EP | claimed |
| WO-2008131946-A2 | SUBSTITUTED AMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2008-11-06 | — | — | WO | claimed |
| EP-2139851-A2 | SUBSTITUTED AMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008131946-A2 | SUBSTITUTED AMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2008-11-06 | — | — | WO | disclosed |