Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 5/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.30 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
| ▸ | GABRR1 | P24046 | 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 | |
|---|---|---|---|---|
| SCHEMBL31269349 | 1.00 | HSD17B10 (0.33) | HSD17B10CYP2C19HDAC6ALDH1A1HPGD | |
| SCHEMBL5349497 | 0.85 | HDAC6 (0.36) | HSD17B10HDAC6ALDH1A1HPGDKDM4E | |
| SCHEMBL1721310 | 0.84 | GDA (0.39) | HSD17B10HDAC6ALDH1A1HPGDKDM4E | |
| SCHEMBL4520168 | 0.84 | HDAC6 (0.32) | HSD17B10HDAC6ALDH1A1HPGDKDM4E | |
| SCHEMBL7771667 | 0.84 | SLC2A1 (0.37) | HSD17B10HDAC6ALDH1A1HPGDKDM4E | |
| SCHEMBL27486869 | 0.81 | ABL1 (0.36) | ALDH1A1HPGDKDM4E | |
| SCHEMBL6060475 | 0.80 | CTNNB1 (0.30) | — | |
| SCHEMBL19207482 | 0.80 | — | — | |
| SCHEMBL6046332 | 0.76 | KDM4E (0.31) | HSD17B10ALDH1A1HPGDKDM4EGLA | |
| SCHEMBL30151959 | 0.75 | SYK (0.34) | HSD17B10HDAC6ALDH1A1HPGDKDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2951180-A1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-12-09 | — | — | EP | disclosed |
| WO-2014120748-A1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-08-07 | — | — | WO | disclosed |
| EP-2013211-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | Novartis AG (CH) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007121920-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |
| EP-1805181-A1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS | Novartis AG (CH) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006045552-A1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2006-05-04 | — | — | WO | disclosed |