Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | PHGDH | O43175 | 1/20 | 0.41 |
| ▸ | KHK | P50053 | 2/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14000500 | 0.79 | PLA2G10 (0.48) | SMN1; SMN2RAB9AMEN1KMT2ANPC1 | |
| SCHEMBL7864237 | 0.79 | GAA (0.48) | ALDH1A1SMN1; SMN2RAB9AHPGDMAPT | |
| SCHEMBL3666316 | 0.78 | CYP11B1 (0.54) | ALDH1A1TSHRPOLBHTTHPGD | |
| SCHEMBL18356093 | 0.78 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2RAB9AHPGDMAPT | |
| SCHEMBL7871521 | 0.78 | PTPN1 (0.48) | ALDH1A1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL9726878 | 0.76 | MAPK1 (0.52) | ALDH1A1HSD17B10POLBHTTMAPT | |
| SCHEMBL9726886 | 0.75 | KMT2A (0.48) | ALDH1A1SMN1; SMN2TSHRPOLBHTT | |
| SCHEMBL19544890 | 0.75 | SMO (0.48) | ALDH1A1SMN1; SMN2POLBRAB9AHTT | |
| SCHEMBL3668866 | 0.75 | PLA2G10 (0.67) | SMN1; SMN2RAB9AHTTNPC1MGAM | |
| SCHEMBL23125678 | 0.74 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2TSHRHSD17B10POLB |
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-6306853-B1 | DICARBOXYLIC ESTER DERIVATIVES OF DIHYDROPYRIDINE COMPOUNDS | NIKKEN CHEMICALS CO., LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| EP-1055672-A1 | 1,4-DIHYDROPYRIDINE DERIVATIVES | Nikken Chemicals Company, Limited (JP) | 2000-11-29 | — | — | EP | disclosed |