Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 9/20 | 0.41 |
| ▸ | CTSL | P07711 | 7/20 | 0.41 |
| ▸ | CTSB | P07858 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL6108042 | 0.85 | ALDH1A1 (0.58) | ALDH1A1PTPN1PTPRCKMT2AMEN1 | |
| SCHEMBL20528155 | 0.82 | MEN1 (0.56) | ALDH1A1KMT2AMEN1TSHR | |
| SCHEMBL5603445 | 0.79 | ALDH1A1 (0.55) | ALDH1A1PTPN1PTPRCKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL8410281 | 0.78 | ALDH1A1 (0.47) | ALDH1A1PTPN1PTPRCKMT2AMAPK1 | |
| SCHEMBL29815527 | 0.78 | ALDH1A1 (0.58) | ALDH1A1PTPN1PTPRCKMT2AMEN1 | |
| SCHEMBL16268289 | 0.76 | MEN1 (0.49) | ALDH1A1PTPN1PTPRCCTSSCTSL | |
| SCHEMBL27385611 | 0.76 | PTPN1 (0.56) | ALDH1A1PTPN1PTPRCKMT2AMEN1 | |
| SCHEMBL28668239 | 0.74 | ALDH1A1 (0.49) | ALDH1A1PTPN1PTPRCKMT2AMEN1 | |
| SCHEMBL28004338 | 0.74 | ALDH1A1 (0.51) | ALDH1A1PTPN1PTPRCCTSSCTSL | |
| SCHEMBL27395268 | 0.74 | ALDH1A1 (0.49) | ALDH1A1PTPN1PTPRCKMT2AMEN1 |
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 |