Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | LOX | P28300 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19634711 | 0.86 | MEN1 (0.56) | KMT2AMEN1CYP1A2CYP3A4LOXL2 | |
| SCHEMBL19634404 | 0.86 | LOXL2 (0.64) | KMT2AHDAC3HDAC6NCOR2MCHR1 | |
| SCHEMBL19634423 | 0.84 | MCHR1 (0.50) | KMT2AMEN1HDAC3HDAC6NCOR2 | |
| SCHEMBL19634403 | 0.84 | HDAC1 (0.60) | KMT2AMEN1CYP1A2CYP3A4HDAC3 | |
| SCHEMBL19634424 | 0.83 | LOXL2 (0.52) | KMT2AHDAC3HDAC6NCOR2MCHR1 | |
| SCHEMBL5050844 | 0.82 | ALDH1A1 (0.45) | KMT2AMEN1CYP1A2CYP3A4HDAC3 | |
| SCHEMBL8331737 | 0.81 | MEN1 (0.68) | KMT2AMEN1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL24808224 | 0.81 | SMN1; SMN2 (0.54) | KMT2AHDAC3HDAC6NCOR2MCHR1 | |
| SCHEMBL8404700 | 0.81 | SMN1; SMN2 (0.58) | KMT2AHDAC3HDAC6NCOR2MCHR1 | |
| SCHEMBL23568255 | 0.80 | SMN1; SMN2 (0.57) | KMT2AMEN1CYP1A2HDAC3HDAC6 |
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-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |