Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL435755 | 1.00 | PDE2A (0.52) | PDE2ACA1CA2LMNATP53 | |
| SCHEMBL13622230 | 1.00 | PDE2A (0.52) | PDE2ACA1CA2LMNATP53 | |
| SCHEMBL17149562 | 0.84 | PDE2A (0.46) | PDE2ACA1CA2ALDH1A1CES2 | |
| SCHEMBL2090318 | 0.83 | PDE2A (0.49) | PDE2ACA1CA2LMNATP53 | |
| SCHEMBL13137732 | 0.83 | ALDH1A1 (0.42) | PDE2ALMNATP53MAPTSMN1; SMN2 | |
| SCHEMBL12009320 | 0.82 | PDE2A (0.43) | PDE2AALDH1A1CYP2C9TSHRUSP2 | |
| SCHEMBL17175646 | 0.82 | PDE2A (0.61) | PDE2AALDH1A1CYP2C9TSHRUSP2 | |
| SCHEMBL792982 | 0.81 | TAAR1 (0.54) | PDE2ACA1CA2ALDH1A1CES2 | |
| SCHEMBL3669222 | 0.81 | ALDH1A1 (0.51) | PDE2ACA1CA2ALDH1A1CES2 | |
| SCHEMBL29331540 | 0.81 | PDE2A (0.46) | PDE2ACA1CA2CES2CES1 |
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-110655456-B | Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin | 浙江大学 | 2020-11-24 | — | — | CN | disclosed |
| CN-110655456-A | Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin | 浙江大学 | 2020-01-07 | — | — | CN | disclosed |