Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7009353 | 0.83 | CYP2D6 (0.39) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL4421264 | 0.81 | ALDH1A1 (0.43) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL10366299 | 0.80 | MMP1 (0.39) | ALDH1A1TDP1MMP1MMP2MMP3 | |
| SCHEMBL1557218 | 0.80 | CYP2D6 (0.46) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL2978555 | 0.80 | ALDH1A1 (0.42) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL2992668 | 0.74 | ALDH1A1 (0.40) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL6711862 | 0.74 | ALDH1A1 (0.40) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL13724570 | 0.73 | MMP1 (0.38) | CYP3A4TSHRTDP1CYP2C9CYP2C19 | |
| SCHEMBL10108 | 0.72 | GAA (0.40) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL21343018 | 0.72 | ALDH1A1 (0.40) | ALDH1A1ALOX15CYP3A4TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4246103-A | INHIBIT PRECIPITATION OF HARD WATER IONS ESPECIALLY FOR INDUSTRIAL WATER AND SLUDGE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-01-20 | — | — | US | disclosed |