Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 2/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL2761376 | 0.86 | ALDH1A1 (0.35) | ALDH1A1RAB9AKMT2ATRPV1FFAR4 | |
| SCHEMBL29800004 | 0.86 | ALDH1A1 (0.35) | ALDH1A1RAB9AKMT2ATRPV1FFAR4 | |
| SCHEMBL2293511 | 0.84 | ALDH1A1 (0.33) | ALDH1A1RAB9AKMT2AFFAR4 | |
| SCHEMBL20404242 | 0.81 | TRPA1 (0.43) | ALDH1A1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27777939 | 0.81 | FFAR4 (0.32) | ALDH1A1RAB9AKMT2AFFAR4 | |
| SCHEMBL6904094 | 0.79 | LMNA (0.33) | ALDH1A1RAB9AKMT2AFFAR4HPGD | |
| SCHEMBL29586802 | 0.78 | EGFR (0.39) | HSD17B10MAPTSHBGKDM4E | |
| SCHEMBL5936407 | 0.78 | EGFR (0.39) | HSD17B10MAPTSHBGKDM4E | |
| SCHEMBL4413276 | 0.76 | CYP4F2 (0.37) | ALDH1A1RAB9AKMT2AFFAR4HPGD | |
| SCHEMBL17543086 | 0.76 | KDM1A (0.36) | ALDH1A1RAB9AKMT2AFFAR4HPGD |
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 |