Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20139174 | 0.84 | PRSS1 (0.45) | ALDH1A1CYP3A4CA2LMNATSHR | |
| SCHEMBL11312169 | 0.80 | CNR2 (0.38) | ALDH1A1CYP3A4LMNATSHRMAPK1 | |
| SCHEMBL11315131 | 0.80 | THRA (0.38) | ALDH1A1CYP3A4LMNATSHRMAPK1 | |
| SCHEMBL11311117 | 0.79 | THRA (0.40) | ALDH1A1CYP3A4LMNATSHRMAPK1 | |
| SCHEMBL11312138 | 0.79 | ADRA2C (0.39) | ALDH1A1LMNATSHRKDM4ETDP1 | |
| SCHEMBL11310263 | 0.78 | TSHR (0.42) | ALDH1A1CYP3A4CA2LMNATSHR | |
| SCHEMBL11322016 | 0.77 | KDM4E (0.34) | ALDH1A1CYP3A4LMNATSHRMAPT | |
| SCHEMBL11312254 | 0.77 | GABRA1 (0.36) | ALDH1A1CYP3A4LMNATSHRL3MBTL1 | |
| SCHEMBL29019756 | 0.76 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CA2LMNATSHR | |
| SCHEMBL11318260 | 0.74 | ADRA2C (0.39) | ALDH1A1LMNATSHRKDM4ETDP1 |
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-4257987-A | SYNERGISTIC ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-03-24 | — | — | US | disclosed |