Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 7/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL21753196 | 0.89 | HPGD (0.79) | HPGDALDH1A1MMP13CA1CA2 | |
| SCHEMBL10077694 | 0.84 | HPGD (0.72) | HPGDALDH1A1MMP13CA1CA2 | |
| SCHEMBL10077691 | 0.84 | HPGD (0.68) | HPGDALDH1A1MMP13CA1CA2 | |
| SCHEMBL3946632 | 0.82 | HPGD (0.68) | HPGDALDH1A1MMP13CA1CA2 | |
| SCHEMBL18246760 | 0.81 | CYP1A2 (0.57) | HPGDALDH1A1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL23119691 | 0.81 | CA1 (0.57) | HPGDALDH1A1CA1CA2SMN1; SMN2 | |
| SCHEMBL30081175 | 0.81 | CA1 (0.57) | HPGDALDH1A1CA1CA2SMN1; SMN2 | |
| SCHEMBL3182307 | 0.80 | HPGD (0.70) | HPGDALDH1A1MMP13CA1CA2 | |
| SCHEMBL6474351 | 0.80 | MMP13 (0.81) | HPGDALDH1A1MMP13SMN1; SMN2CYP1A2 | |
| SCHEMBL12623587 | 0.80 | HPGD (0.62) | HPGDALDH1A1MMP13CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995001346-A1 | CHELATING COMPOUNDS | AKZO NOBEL N.V. (NL) | 1995-01-12 | — | — | WO | disclosed |