Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 2/20 | 0.48 |
| ▸ | MMP9 | P14780 | 2/20 | 0.48 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7574583 | 0.77 | MEN1 (0.46) | NPC1GAARAB9AMEN1KMT2A | |
| SCHEMBL6296941 | 0.77 | NPC1 (0.42) | NPC1GAAHSD17B10RAB9AMEN1 | |
| SCHEMBL6293053 | 0.76 | MMP2 (0.43) | NPC1GAAALDH1A1MMP2MMP9 | |
| SCHEMBL1609155 | 0.76 | NPC1 (1.00) | NPC1GAAHSD17B10RAB9AMEN1 | |
| SCHEMBL14288291 | 0.76 | NPC1 (0.69) | NPC1GAAHSD17B10RAB9AMEN1 | |
| SCHEMBL8531541 | 0.75 | POLB (0.56) | HSD17B10RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL17163193 | 0.75 | SMN1; SMN2 (0.47) | GAAHSD17B10MEN1KMT2AALDH1A1 | |
| SCHEMBL7862778 | 0.74 | GSK3B (0.59) | NPC1MEN1KMT2AALDH1A1POLB | |
| SCHEMBL7861865 | 0.73 | THRA (0.41) | GAAHSD17B10RAB9APOLBAPEX1 | |
| SCHEMBL7861710 | 0.73 | GSK3B (0.49) | NPC1GAAMEN1KMT2AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923529-B1 | SUBSTITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS | BAYER AG (US) | 2001-09-19 | — | — | EP | disclosed |
| EP-0923529-A1 | SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS | Bayer Corporation (US) | 1999-06-23 | — | — | EP | disclosed |
| US-5863915-A | ENZYME INHIBITORS FOR BONES AND JOINTS | BAYER CORPORATION (US) | 1999-01-26 | — | — | US | disclosed |
| WO-1997043237-A1 | SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS | BAYER CORPORATION (US) | 1997-11-20 | — | — | WO | disclosed |