Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GGT1 | P19440 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | FOS | P01100 | 2/20 | 0.33 |
| ▸ | JUN | P05412 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5502465 | 0.88 | PTGS2 (0.37) | KDM4ETDP1CYP3A4ALOX12PTGS2 | |
| SCHEMBL10760805 | 0.85 | PTGS2 (0.40) | KDM4ETDP1CYP3A4ALOX12PTGS2 | |
| SCHEMBL27934605 | 0.80 | KDM4E (0.40) | KDM4ETDP1CYP3A4ALOX12PTGS2 | |
| SCHEMBL5501359 | 0.78 | KDM4E (0.41) | KDM4ETDP1CYP3A4ALOX12PTGS2 | |
| SCHEMBL13436036 | 0.78 | MAPT (0.49) | KDM4ETDP1CYP3A4ALDH1A1HPGD | |
| SCHEMBL10362528 | 0.74 | KDM4E (0.36) | KDM4ETDP1CYP3A4ALOX12PTGS2 | |
| SCHEMBL5959150 | 0.74 | MAOB (0.40) | KDM4ETDP1MAPTMAPK1MEN1 | |
| SCHEMBL7726224 | 0.73 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDTSHRFOS | |
| SCHEMBL22114663 | 0.71 | RPS6KA5 (0.34) | ALDH1A1 | |
| SCHEMBL27896061 | 0.71 | KDM4E (0.46) | KDM4ETDP1CYP3A4ALOX12PTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2276756-B1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2011-11-30 | — | — | EP | disclosed |
| EP-2276756-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-26 | — | — | EP | disclosed |
| EP-2274296-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-19 | — | — | EP | disclosed |