Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 9/20 | 0.55 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CASR | P41180 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27979273 | 0.86 | ALOX5 (0.45) | KDM4EPOLBMAPTLMNACYP3A4 | |
| SCHEMBL27962282 | 0.80 | MEN1 (0.43) | POLBL3MBTL1RAB9AMAPTMEN1 | |
| SCHEMBL30801465 | 0.78 | TP53 (0.52) | MTNR1BMTNR1AKDM4EPOLBL3MBTL1 | |
| SCHEMBL29157113 | 0.78 | TP53 (0.52) | MTNR1BMTNR1AKDM4EPOLBL3MBTL1 | |
| SCHEMBL6202617 | 0.77 | NPC1 (0.60) | KDM4EPOLBCASRL3MBTL1RAB9A | |
| SCHEMBL6306108 | 0.73 | MTNR1A (0.63) | MTNR1BMTNR1ACASRL3MBTL1 | |
| SCHEMBL14229435 | 0.73 | MTNR1B (0.60) | MTNR1BMTNR1A | |
| SCHEMBL27962280 | 0.72 | CTSA (0.43) | KDM4EPOLBRAB9ACYP3A4CYP2C9 | |
| SCHEMBL14229088 | 0.72 | MTNR1B (0.62) | MTNR1BMTNR1A | |
| SCHEMBL6561099 | 0.71 | KCNA5 (0.47) | POLBL3MBTL1MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104045573-B | The method of beta-amino carbonyl compound is prepared in cyclopentadienyl titanium dichloride and the concerted catalysis of aminophenols part | SHAANXI NORMAL UNIVERSITY (CN) | 2015-10-28 | — | — | CN | disclosed |
| CN-104045573-A | Method for preparing beta-amino carbonyl compound through synergetic catalysis of titanocene dichloride and aminophenol ligand | UNIV SHAANXI NORMAL | 2014-09-17 | — | — | CN | disclosed |