Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 9/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8757842 | 0.82 | KMT2A (0.50) | KMT2AALDH1A1CES2CES1ESR1 | |
| SCHEMBL10180049 | 0.80 | LMNA (0.47) | KMT2AALDH1A1CES2CES1ESR1 | |
| SCHEMBL19626971 | 0.79 | CES2 (0.52) | KMT2AALDH1A1CES2CES1ESR1 | |
| SCHEMBL19626981 | 0.77 | CES2 (0.53) | KMT2AALDH1A1CES2CES1ESR1 | |
| SCHEMBL2833886 | 0.76 | KMT2A (0.56) | KMT2AALDH1A1CES2CES1ESR1 | |
| SCHEMBL2831844 | 0.76 | KMT2A (0.68) | KMT2AALDH1A1CES2CES1ESR1 | |
| SCHEMBL15596259 | 0.75 | KMT2A (0.58) | KMT2AALDH1A1CES2CES1ESR1 | |
| SCHEMBL5889541 | 0.75 | TSHR (0.47) | KMT2AALDH1A1CES2CES1ALOX15 | |
| SCHEMBL2833924 | 0.75 | MAPT (0.55) | KMT2AALDH1A1CES2CES1ESR1 | |
| SCHEMBL8378855 | 0.74 | CES2 (0.62) | KMT2AALDH1A1CES2CES1ESR1 |
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-5849959-A | Derivatives of 2, 3, 6-trifluorophenols and a process for their preparation | CLARIANT GMBH (DE) | 1998-12-15 | — | — | US | disclosed |