Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7594902 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TDP1GBA1SMN1; SMN2TNF | |
| SCHEMBL10483645 | 0.85 | ALDH1A1 (0.46) | ALDH1A1TDP1GBA1SMN1; SMN2TNF | |
| SCHEMBL19591350 | 0.82 | SMN1; SMN2 (0.43) | ALDH1A1TDP1GBA1SMN1; SMN2TNF | |
| SCHEMBL12819595 | 0.80 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL1444315 | 0.80 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL3344912 | 0.75 | GBA1 (0.38) | GBA1TNF | |
| SCHEMBL3344916 | 0.75 | GBA1 (0.38) | GBA1TNF | |
| SCHEMBL11318239 | 0.74 | GBA1 (0.46) | ALDH1A1TDP1GBA1SMN1; SMN2TNF | |
| SCHEMBL3345071 | 0.74 | GJB2 (0.41) | ALDH1A1TDP1GBA1TNF | |
| SCHEMBL3345069 | 0.74 | GJB2 (0.41) | ALDH1A1TDP1GBA1TNF |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6465625-B1 | TAXOL DERIVATIVES ARE THE PRODUCT OF HIGHLY SPECIFIC BIOCATALYTIC REACTIONS | ALBANY MOLECULAR RESEARCH, INC. | 2002-10-15 | — | — | US | disclosed |
| EP-0713533-B1 | BIOCATALYTIC METHODS FOR SYNTHESIZING AND IDENTIFYING BIOLOGICALLY ACTIVE COMPOUNDS | ALBANY MOLECULAR RES INC (US) | 2002-07-10 | — | — | EP | disclosed |
| US-6136961-A | TAXOL-2'-ADIPATE DERIVATIVES WITH IMPROVED WATER SOLUBILITY, BERGENIN DERIVATIVES, AND ERYTHROMYCIN DERIVATIVES OF GIVEN FORMULAS; FREE ACID OR SUGAR-CONTAINING DERIVATIVES THEREOF | ENZYMED, INC. (US) | 2000-10-24 | — | — | US | disclosed |
| EP-0713533-A1 | BIOCATALYTIC METHODS FOR SYNTHESIZING AND IDENTIFYING BIOLOGICALLY ACTIVE COMPOUNDS | ENZYMED, Inc. (US) | 1996-05-29 | — | — | EP | disclosed |
| WO-1996005511-A1 | BIOCATALYTIC METHODS FOR SYNTHESIZING AND IDENTIFYING BIOLOGICALLY ACTIVE COMPOUNDS | ENZYMED, INC. (US) | 1996-02-22 | — | — | WO | disclosed |
| WO-1995005475-A1 | BIOCATALYTIC METHODS FOR SYNTHESIZING AND IDENTIFYING BIOLOGICALLY ACTIVE COMPOUNDS | ENZYMED, INC. (US) | 1995-02-23 | — | — | WO | disclosed |