Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | SMO | Q99835 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12182217 | 0.71 | LMNA (0.42) | ALDH1A1PKMLMNASMN1; SMN2HTT | |
| SCHEMBL2599725 | 0.69 | ALDH1A1 (0.40) | ALDH1A1GAAPKMNPC1RAB9A | |
| SCHEMBL13462193 | 0.69 | CHEK1 (0.46) | ADRB2MAPK14SMOLOXL2PDPK1 | |
| SCHEMBL3798221 | 0.67 | ALDH1A1 (0.47) | ALDH1A1GAALMNASMN1; SMN2HTT | |
| SCHEMBL1253501 | 0.66 | ALDH1A1 (0.50) | ALDH1A1GAALMNANPC1RAB9A | |
| SCHEMBL26259594 | 0.65 | PDPK1 (0.44) | ALDH1A1ADORA2AADORA1PKMNPC1 | |
| SCHEMBL2599782 | 0.64 | ALDH1A1 (0.51) | ALDH1A1GAAMAPTEGFRKDM4E | |
| SCHEMBL2599716 | 0.63 | ALDH1A1 (0.40) | ALDH1A1PKMLMNAMAPTEGFR | |
| SCHEMBL27960303 | 0.63 | CYP2A6 (0.40) | ALDH1A1ADORA2AADORA1ADRB2PDPK1 | |
| SCHEMBL23108267 | 0.63 | CA1 (0.46) | ALDH1A1GAANPC1RAB9AMAPT |
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-2571356-A1 | SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011146324-A1 | SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-11-24 | — | — | WO | disclosed |