Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4430985 | 0.83 | ALDH1A1 (0.51) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL4430978 | 0.82 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL12077803 | 0.78 | ALDH1A1 (0.68) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL27961616 | 0.75 | ALDH1A1 (0.59) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 | |
| Ammonia Solution, Strong SCHEMBL4419736 | 0.75 | CA1 (0.44) | SMN1; SMN2ALDH1A1HPGDRAB9AHSD17B10 | |
| SCHEMBL7885963 | 0.74 | ALDH1A1 (0.61) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL7212010 | 0.73 | ALDH1A1 (0.60) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL7705155 | 0.73 | CA2 (0.48) | RAB9AGAALMNA | |
| SCHEMBL28575333 | 0.70 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL28575336 | 0.70 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004048393-A2 | NOVEL INHIBITORS OF β-LACTAMASE | METHYLGENE, INC. (CA) | 2004-06-10 | — | — | WO | disclosed |
| EP-1194436-A1 | SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF BETA-LACTAMASE | Methylgene, Inc. (CA) | 2002-04-10 | — | — | EP | disclosed |
| WO-2001002411-A1 | SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF β-LACTAMASE | METHYLGENE INC. (CA) | 2001-01-11 | — | — | WO | disclosed |