Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.67 |
| ▸ | RAB9A | P51151 | 7/20 | 0.67 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.60 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.57 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.56 |
| ▸ | RELA | Q04206 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2797986 | 0.81 | NPC1 (0.75) | NPC1RAB9ACHRNA7MAPK11MAPK14 | |
| SCHEMBL29779541 | 0.81 | SMYD3 (0.67) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL17592010 | 0.81 | SMYD3 (0.67) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL17592011 | 0.81 | SMYD3 (0.67) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL3214001 | 0.77 | NPC1 (0.72) | NPC1RAB9ACHRNA7MAPK11MAPK14 | |
| SCHEMBL6820557 | 0.77 | TAS1R3 (0.52) | NPC1RAB9ACHRNA7HPGDKMT2A | |
| SCHEMBL5232236 | 0.76 | NPC1 (0.56) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL6291512 | 0.76 | CHRNA7 (0.89) | NPC1RAB9ACHRNA7MAPK11MAPK14 | |
| SCHEMBL6288321 | 0.75 | CHRNA7 (1.00) | NPC1RAB9ACHRNA7MAPK11MAPK14 | |
| SCHEMBL6288322 | 0.75 | CHRNA7 (1.00) | NPC1RAB9ACHRNA7MAPK11MAPK14 |
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-2906216-B1 | INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS | KUMAR AJAY (GB) | 2020-06-24 | — | — | EP | disclosed |