Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22918209 | 0.83 | ALDH1A1 (0.40) | ALDH1A1LMNASMN1; SMN2ESR1ESR2 | |
| SCHEMBL18714383 | 0.83 | ESR1 (0.46) | ALDH1A1LMNASMN1; SMN2ESR1ESR2 | |
| SCHEMBL3989199 | 0.82 | ADRA2A (0.48) | ALDH1A1LMNASMN1; SMN2ESR1ESR2 | |
| SCHEMBL27661301 | 0.79 | ESR1 (0.37) | ALDH1A1LMNASMN1; SMN2ESR1ESR2 | |
| SCHEMBL20083008 | 0.79 | ACHE (0.39) | ALDH1A1LMNASMN1; SMN2ESR1ESR2 | |
| SCHEMBL19803213 | 0.78 | ADRA2A (0.42) | ALDH1A1LMNASMN1; SMN2ESR1ESR2 | |
| SCHEMBL18660101 | 0.78 | NR1I2 (0.58) | ALDH1A1LMNASMN1; SMN2ESR1ESR2 | |
| SCHEMBL19937453 | 0.77 | ALDH1A1 (0.39) | ALDH1A1ESR1ESR2NR1I2ADRA2A | |
| SCHEMBL8750490 | 0.77 | NR1I2 (0.43) | ALDH1A1LMNASMN1; SMN2ESR1ESR2 | |
| SCHEMBL8302875 | 0.75 | TEAD4 (0.48) | ALDH1A1SMN1; SMN2ESR1ESR2ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3290427-A1 | TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | Melinta Therapeutics, Inc. (US) | 2018-03-07 | — | — | EP | disclosed |