Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL903082 | 0.86 | ALDH1A1 (0.33) | MEN1KMT2AUSP2HPGDALOX15 | |
| SCHEMBL903119 | 0.65 | ACACB (0.32) | — | |
| SCHEMBL13564600 | 0.65 | ADORA2B (0.33) | MEN1KMT2AALOX15HSD17B10 | |
| SCHEMBL903112 | 0.65 | TSHR (0.32) | MEN1KMT2A | |
| SCHEMBL12543189 | 0.65 | ALDH1A1 (0.48) | CYP2C9CYP2C19NPSR1KMT2AHPGD | |
| SCHEMBL3825996 | 0.62 | CYP2C9 (0.49) | CYP2C9CYP2C19NPSR1MEN1KMT2A | |
| SCHEMBL27587967 | 0.62 | CYP2C9 (0.43) | CYP2C9CYP2C19NPSR1MEN1KMT2A | |
| SCHEMBL15616814 | 0.60 | KCNH2 (0.36) | HPGDHSD17B10 | |
| SCHEMBL13671086 | 0.60 | KCNH2 (0.40) | CYP2C9CYP2C19HPGDHSD17B10 | |
| SCHEMBL12263825 | 0.60 | KMT2A (0.62) | MEN1KMT2AUSP2ALOX15 |
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-2012044531-A1 | NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |