Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.66 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10896470 | 0.87 | KMT2A (0.64) | KMT2AMEN1THRBRAB9ASMN1; SMN2 | |
| SCHEMBL3819701 | 0.86 | KMT2A (0.71) | KMT2AMEN1THRBRAB9ASMN1; SMN2 | |
| SCHEMBL28115750 | 0.85 | KMT2A (0.69) | KMT2AMEN1THRBRAB9ASMN1; SMN2 | |
| SCHEMBL8722504 | 0.85 | KMT2A (0.69) | KMT2AMEN1THRBRAB9ASMN1; SMN2 | |
| SCHEMBL3963197 | 0.84 | KMT2A (0.68) | KMT2AMEN1THRBRAB9ASMN1; SMN2 | |
| SCHEMBL10894686 | 0.84 | KMT2A (0.68) | KMT2AMEN1THRBRAB9ASMN1; SMN2 | |
| SCHEMBL7421790 | 0.83 | KMT2A (0.60) | KMT2AMEN1THRBRAB9ASMN1; SMN2 | |
| SCHEMBL2736630 | 0.83 | KMT2A (0.61) | KMT2AMEN1THRBRAB9ASMN1; SMN2 | |
| SCHEMBL3854614 | 0.83 | KMT2A (0.63) | KMT2AMEN1THRBRAB9ASMN1; SMN2 | |
| Nicaraven SCHEMBL677580 | 0.82 | KMT2A (0.66) | KMT2AMEN1THRBRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1763350-A1 | NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2007-03-21 | — | — | EP | claimed |
| WO-2006014168-A1 | NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2006-02-09 | — | — | WO | claimed |