Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6479814 | 0.79 | ACHE (0.42) | ALDH1A1KDM4ECYP1A2MAPTMAPK1 | |
| SCHEMBL12442826 | 0.77 | BCHE (0.65) | ALDH1A1KDM4ECYP1A2MAPTMAPK1 | |
| SCHEMBL12442843 | 0.75 | ALDH1A1 (0.73) | ALDH1A1KDM4ECYP1A2MAPTMAPK1 | |
| SCHEMBL527199 | 0.74 | ACHE (0.65) | ALDH1A1KDM4ECYP1A2MAPTMAPK1 | |
| SCHEMBL11870225 | 0.72 | MAPT (0.50) | ALDH1A1KDM4ECYP1A2MAPTMAPK1 | |
| SCHEMBL527589 | 0.72 | BCHE (0.66) | ALDH1A1KDM4ECYP1A2MAPTMAPK1 | |
| SCHEMBL8390418 | 0.71 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP1A2MAPTMAPK1 | |
| SCHEMBL3288428 | 0.71 | ALDH1A1 (0.57) | ALDH1A1KDM4ECYP1A2MAPTMAPK1 | |
| SCHEMBL9693861 | 0.70 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP1A2MAPTMAPK1 | |
| SCHEMBL11832472 | 0.70 | ALDH1A1 (0.55) | ALDH1A1KDM4ECYP1A2MAPTMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6962938-B2 | Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-11-08 | — | — | US | disclosed |
| US-6720329-B2 | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA | 2004-04-13 | — | — | US | disclosed |