Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20786866 | 0.93 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9AMAPTPOLB | |
| SCHEMBL20787606 | 0.90 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9AMAPTPOLB | |
| SCHEMBL20786864 | 0.87 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1RAB9AMAPTPOLB | |
| SCHEMBL20764555 | 0.85 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9AMAPTPOLB | |
| SCHEMBL20764535 | 0.82 | ALDH1A1 (0.50) | SMN1; SMN2NPC1RAB9AMAPTPOLB | |
| SCHEMBL31311025 | 0.79 | LMNA (0.45) | SMN1; SMN2NPC1RAB9AMAPTPOLB | |
| SCHEMBL31311198 | 0.78 | MAPT (0.48) | SMN1; SMN2NPC1RAB9AMAPTPOLB | |
| SCHEMBL20764591 | 0.78 | NPC1 (0.43) | SMN1; SMN2NPC1RAB9AMAPTPOLB | |
| SCHEMBL28373358 | 0.77 | SMN1; SMN2 (0.37) | SMN1; SMN2NPC1RAB9AMAPTPOLB | |
| SCHEMBL20764511 | 0.77 | ALDH1A1 (0.42) | SMN1; SMN2NPC1RAB9AMAPTPOLB |
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-2019038405-A1 | NOVEL CYSTOBACTAMIDE DERIVATIVES | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2019-02-28 | — | — | WO | disclosed |