Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | ECE1 | P42892 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.33 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2200981 | 0.84 | ABCB1 (0.39) | SSTR1SSTR4DPP4PREPFAP | |
| SCHEMBL30580462 | 0.72 | TSHR (0.48) | L3MBTL1TDP1ALDH1A1ECE1TSHR | |
| SCHEMBL29612789 | 0.68 | LMNA (0.46) | L3MBTL1TDP1ALDH1A1TSHRBCHE | |
| SCHEMBL8703069 | 0.68 | TP53 (0.40) | PPARGECE1TSHRSMN1; SMN2ALOX15 | |
| SCHEMBL4602385 | 0.67 | GPR119 (0.39) | ALDH1A1TSHRSSTR1SSTR4KMT2A | |
| SCHEMBL2202034 | 0.67 | GPR119 (0.39) | ALDH1A1TSHRSSTR1SSTR4KMT2A | |
| SCHEMBL2199374 | 0.67 | SLC6A4 (0.39) | SSTR4DPP4PREPFAPDPP8 | |
| SCHEMBL2201807 | 0.66 | POLB (0.42) | TSHRSSTR1SSTR4KMT2ADPP4 | |
| SCHEMBL4603500 | 0.66 | POLB (0.42) | TSHRSSTR1SSTR4KMT2ADPP4 | |
| SCHEMBL23532545 | 0.66 | TSHR (0.50) | L3MBTL1TDP1ALDH1A1ECE1TSHR |
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-1912994-A1 | ADENINE DERIVATIVES | Merck Patent GmbH (DE) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007017069-A1 | ADENINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-15 | — | — | WO | disclosed |