Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9277752 | 0.80 | POLB (0.31) | TSHRSMN1; SMN2 | |
| SCHEMBL9279228 | 0.80 | POLB (0.31) | TSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9733369 | 0.72 | MAPT (0.34) | ALDH1A1LMNATP53TSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9733405 | 0.72 | MAPT (0.34) | ALDH1A1LMNATP53TSHRSMN1; SMN2 | |
| SCHEMBL13309235 | 0.72 | KMT2A (0.41) | KMT2AMMP1MMP13CHRNB2CHRNB4 | |
| SCHEMBL9252185 | 0.72 | — | — | |
| SCHEMBL9252723 | 0.71 | KMT2A (0.38) | KMT2ALMNAMMP1MMP13CHRNB2 | |
| SCHEMBL23677559 | 0.69 | KMT2A (0.44) | KMT2AMMP1MMP13CHRNB2CHRNB4 | |
| SCHEMBL10410305 | 0.69 | KMT2A (0.44) | ALDH1A1KMT2AMMP1MMP13CHRNB2 | |
| SCHEMBL20131552 | 0.69 | KMT2A (0.44) | KMT2AMMP1MMP13CHRNB2CHRNB4 |
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-5380849-A | Process for optically pure decahydroisoqiunolines | MERCK & CO., INC. (US) | 1995-01-10 | — | — | US | disclosed |