Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2599782 | 0.83 | ALDH1A1 (0.51) | ALDH1A1KDM4EL3MBTL1DHFRMAPT | |
| SCHEMBL12182217 | 0.76 | LMNA (0.42) | ALDH1A1KDM4EHPGDSMPD3POLB | |
| SCHEMBL3636709 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EL3MBTL1MAPTHPGD | |
| SCHEMBL23466075 | 0.72 | ADORA3 (0.30) | — | |
| SCHEMBL27960303 | 0.72 | CYP2A6 (0.40) | ALDH1A1 | |
| SCHEMBL15194108 | 0.71 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTHPGDNPSR1 | |
| SCHEMBL2599725 | 0.69 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1MAPTHPGD | |
| SCHEMBL27906234 | 0.69 | CYP2A6 (0.40) | ALDH1A1HPGD | |
| SCHEMBL14397598 | 0.68 | ALDH1A1 (0.49) | ALDH1A1KDM4EL3MBTL1MAPTHPGD | |
| SCHEMBL6850758 | 0.66 | ALDH1A1 (0.58) | ALDH1A1KDM4EL3MBTL1MAPTHPGD |
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 |