Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8334285 | 0.88 | ALDH1A1 (0.54) | ALDH1A1GAAHSD11B1TDP1POLB | |
| SCHEMBL8475112 | 0.86 | TDP1 (0.54) | ALDH1A1GAAHSD11B1TDP1POLB | |
| SCHEMBL8474009 | 0.86 | TDP1 (0.54) | ALDH1A1GAAHSD11B1TDP1POLB | |
| SCHEMBL7329933 | 0.86 | ALDH1A1 (0.52) | ALDH1A1GAAHSD11B1TDP1POLB | |
| SCHEMBL8471464 | 0.83 | ALDH1A1 (0.65) | ALDH1A1GAAHSD11B1TDP1POLB | |
| SCHEMBL8475810 | 0.83 | ALDH1A1 (0.65) | ALDH1A1GAAHSD11B1TDP1POLB | |
| SCHEMBL14866021 | 0.79 | TDP1 (0.58) | ALDH1A1GAAHSD11B1TDP1POLB | |
| SCHEMBL8799111 | 0.78 | TDP1 (0.54) | ALDH1A1GAAHSD11B1TDP1POLB | |
| SCHEMBL8799115 | 0.78 | TDP1 (0.54) | ALDH1A1GAAHSD11B1TDP1POLB | |
| SCHEMBL21715106 | 0.76 | HSD11B1 (0.71) | ALDH1A1GAAHSD11B1TDP1POLB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5919949-A | α-hydroxy acid esters useful as intermediates in the production of β-amino alcohols | HOFFMANN-LA ROCHE INC. (US) | 1999-07-06 | — | — | US | disclosed |
| US-5578730-A | Process for producing β-aminoalcohols compounds | HOFFMANN-LA ROCHE INC. (US) | 1996-11-26 | — | — | US | disclosed |
| US-5516930-A | Intermediates in the production beta aminoalcohols | HOFFMANN-LA ROCHE INC. (US) | 1996-05-14 | — | — | US | disclosed |
| US-5512682-A | Nitrile compounds useful as intermediates in the production of beta amino alcohols | HOFFMANN-LA ROCHE INC. (US) | 1996-04-30 | — | — | US | disclosed |
| US-5512688-A | METHANESULFONIC ACID(4S,-5S)-4-BENZYL-2-OXO-OXAZOLIDINE -5YLMETHYL ESTER; CHEMICAL INTERMEDIATE FOR FORMING CERTAIN AMINO ACID DERIVATIVES USEFUL AS PHROPHYLAXIS OR TRETAMENT OF RITRO-VIRAL INFECTIONS | HOFFMANN-LA ROCHE INC. (US) | 1996-04-30 | — | — | US | disclosed |
| US-5495025-A | Isoindole compounds which are useful as intermediates | HOFFMANN-LA ROCHE INC. (US) | 1996-02-27 | — | — | US | disclosed |
| US-5455353-A | 4-(benzyl-2-oxo-oxazolidin-5 ylmethyl)N tertbutyl-decahydroisoquinoline-3-carboxamides | HOFFMANN-LA ROCHE INC. (US) | 1995-10-03 | — | — | US | disclosed |