Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 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 | |
|---|---|---|---|---|
| SCHEMBL10191378 | 0.93 | ALDH1A1 (0.46) | CES2CES1ALDH1A1CA1CA2 | |
| SCHEMBL10191380 | 0.91 | ALDH1A1 (0.45) | CES2CES1ALDH1A1CA1CA2 | |
| SCHEMBL10192796 | 0.88 | ALDH1A1 (0.46) | CES2CES1ALDH1A1CA1CA2 | |
| SCHEMBL10192859 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CA1CA2CA4KMT2A | |
| Bicarbonate SCHEMBL10894874 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CA1CA2CA4MCL1 | |
| SCHEMBL10727759 | 0.81 | POLB (0.40) | CES2CES1ALDH1A1TSHRMAPT | |
| SCHEMBL7934805 | 0.79 | MAPT (0.52) | ALDH1A1TSHRKMT2AMAPTSMN1; SMN2 | |
| SCHEMBL10729012 | 0.79 | POLB (0.42) | CES2CES1ALDH1A1HDAC8HDAC6 | |
| SCHEMBL10191382 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CA1CA2CA4MCL1 | |
| SCHEMBL10455369 | 0.76 | POLB (0.36) | CES2CES1ALDH1A1TSHRKMT2A |
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-6291400-B1 | Herbicidal compounds | ZENECA LIMITED (GB) | 2001-09-18 | — | — | US | claimed |