Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TOP2A | P11388 | 2/20 | 0.51 |
| ▸ | BRAF | P15056 | 1/20 | 0.51 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | NT5C2 | P49902 | 1/20 | 0.42 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hypoxanthine SCHEMBL28275707 | 0.77 | ALDH1A1 (0.86) | ALDH1A1GDACHEK1RPS6KA3SLC2A1 | |
| Hypoxanthine SCHEMBL7157941 | 0.76 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2BRAFNT5C2GDA | |
| Hypoxanthine SCHEMBL7037918 | 0.75 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2RAB9AADORA2AGDA | |
| Hypoxanthine SCHEMBL25381 | 0.75 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2RAB9AADORA2AGDA | |
| Hypoxanthine SCHEMBL30096461 | 0.75 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2RAB9AADORA2AGDA | |
| 4-Methylbenzoic Acid SCHEMBL6914173 | 0.75 | ALDH1A1 (0.94) | ALDH1A1SMN1; SMN2SRD5A2RXRARXRB | |
| Hypoxanthine SCHEMBL15391911 | 0.75 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2NT5C2GDASLC2A1 | |
| Hypoxanthine SCHEMBL560392 | 0.73 | ALDH1A1 (0.95) | ALDH1A1SMN1; SMN2RAB9AADORA2AGDA | |
| Hypoxanthine SCHEMBL28774651 | 0.73 | ALDH1A1 (0.95) | ALDH1A1SMN1; SMN2RAB9AADORA2AGDA | |
| Hypoxanthine SCHEMBL7168422 | 0.73 | ALDH1A1 (0.95) | ALDH1A1SMN1; SMN2RAB9AADORA2AGDA |
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-3151665-A1 | METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK | Laboratory Corporation of America Holdings (US) | 2017-04-12 | — | — | EP | disclosed |
| WO-2015157601-A1 | METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK | SYNAPDX CORPORATION (US) | 2015-10-15 | — | — | WO | disclosed |