Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL3989199 | 0.77 | ADRA2A (0.48) | HDAC8HDAC6ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL19123060 | 0.76 | ACHE (0.40) | HDAC8HDAC6ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL29345484 | 0.75 | ADRA2A (0.40) | HDAC8HDAC6ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL22783193 | 0.71 | SLC6A4 (0.65) | SLC6A4NR3C1PGRNR3C2HTR1B | |
| SCHEMBL19446442 | 0.70 | ESR1 (0.38) | HDAC8HDAC6ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL19803213 | 0.70 | ADRA2A (0.42) | HDAC8HDAC6ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL9397889 | 0.70 | ALDH1A1 (0.44) | HDAC8HDAC6ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL14452548 | 0.70 | ALDH1A1 (0.53) | ALDH1A1LMNASMN1; SMN2CHRNA7MEN1 | |
| SCHEMBL18714383 | 0.70 | ESR1 (0.46) | HDAC8HDAC6ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL16979038 | 0.70 | ESR1 (0.44) | HDAC8HDAC6ALDH1A1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012084704-A1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | MERCK SERONO S.A. (CH) | 2012-06-28 | — | — | WO | disclosed |