Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSPO | P30536 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8782664 | 0.86 | ADORA2A (0.46) | ADORA2AADORA2BADORA1CYP3A4RAB9A | |
| SCHEMBL9359593 | 0.81 | CYP3A4 (0.43) | CYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL6451749 | 0.80 | CYP3A4 (0.46) | ADORA2AADORA2BADORA1CYP3A4TSPO | |
| SCHEMBL19086382 | 0.74 | PTK2 (0.43) | RAB9ASMN1; SMN2ALDH1A1KDM4EHPGD | |
| SCHEMBL6454343 | 0.73 | CYP3A4 (0.42) | CYP3A4TSPOALDH1A1MEN1KMT2A | |
| SCHEMBL7002940 | 0.71 | FSCN1 (0.49) | ADORA2AADORA2BADORA1CYP3A4TSPO | |
| SCHEMBL16215452 | 0.70 | AAK1 (0.33) | ADORA2AADORA2BADORA1MEN1TP53 | |
| SCHEMBL17572193 | 0.70 | AAK1 (0.39) | RAB9ASMN1; SMN2ALDH1A1HPGDMEN1 | |
| SCHEMBL24534623 | 0.70 | TSPO (0.42) | ADORA2AADORA2BADORA1TSPOKDM4E | |
| SCHEMBL4697782 | 0.69 | TSHR (0.40) | CYP3A4RAB9AALDH1A1MAPTGAA |
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-1567498-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004048335-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-10 | — | — | WO | disclosed |