Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8407436 | 1.00 | OPRM1 (0.46) | OPRM1KDM4EGAALMNASMN1; SMN2 | |
| SCHEMBL153866 | 0.82 | ALDH1A1 (0.39) | OPRM1KDM4EPOLBMEN1KMT2A | |
| SCHEMBL4504702 | 0.82 | GRIN1 (0.42) | OPRM1KDM4EGAAPOLBMEN1 | |
| SCHEMBL23388812 | 0.81 | POLB (0.46) | OPRM1KDM4ESMN1; SMN2POLBMEN1 | |
| SCHEMBL4806628 | 0.81 | CYP3A4 (0.49) | OPRM1KDM4EGAALMNASMN1; SMN2 | |
| SCHEMBL7826623 | 0.80 | RAB9A (0.40) | OPRM1KDM4ELMNASMN1; SMN2MEN1 | |
| SCHEMBL3268225 | 0.78 | POLB (0.43) | OPRM1KDM4ESMN1; SMN2POLBMEN1 | |
| SCHEMBL8115016 | 0.77 | OPRM1 (0.54) | OPRM1SMN1; SMN2OPRD1OPRK1 | |
| SCHEMBL20980165 | 0.75 | POLB (0.41) | OPRM1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL28446471 | 0.75 | HRH3 (0.50) | OPRM1KDM4EGAALMNASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5929243-A | STEREOSPECIFIC HYDROLYSIS OF AN N-PROTECTED ETHYL ESTER OF 2-BENZYL-2-CARBETHOXY-3-AMINO PROPIONIATE USING AN ESTERASE AND OBTAINING AN OPTICAL STEREOISOMER OF THE CORRESPONDING MONO-ACID; DEPROTECTING; CYCLIZATION; CHEMICAL REDUCTION | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | disclosed |