Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5721832 | 1.00 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL1981423 | 1.00 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL20357567 | 0.89 | CYP1A2 (0.59) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL11587287 | 0.82 | KMT2A (0.76) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL9315719 | 0.82 | KMT2A (0.56) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL7812520 | 0.81 | KMT2A (0.50) | KMT2AGAATSHRCA1CA2 | |
| SCHEMBL12310141 | 0.81 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL31002548 | 0.81 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL8935823 | 0.81 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM | |
| SCHEMBL31069134 | 0.81 | KMT2A (0.68) | KMT2AGAACYP1A2CYP2C9PKM |
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-5886209-A | CATALYTIC ESTERIFICATION OF THE CHIRALIC CARBOXYLIC ACID IN PRESENCE OF A DISTILLABLE ACID CATALYST WITH AN ALCOHOL, WITHOUT PURIFICATION OF THE BOTTOMS PRODUCT, REPEATING THE ESTERIFICATION STEP | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-23 | — | — | US | disclosed |