Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23924607 | 0.85 | SIGMAR1 (0.52) | ALDH1A1CYP2D6L3MBTL1 | |
| SCHEMBL23924502 | 0.85 | SIGMAR1 (0.52) | ALDH1A1CYP2D6L3MBTL1 | |
| SCHEMBL23924608 | 0.85 | SIGMAR1 (0.52) | ALDH1A1CYP2D6L3MBTL1 | |
| SCHEMBL20521023 | 0.74 | HTR1A (0.48) | — | |
| SCHEMBL22605205 | 0.74 | HTR1A (0.48) | — | |
| SCHEMBL20521021 | 0.74 | HTR1A (0.48) | — | |
| SCHEMBL22010183 | 0.74 | HTR1A (0.48) | — | |
| SCHEMBL20521020 | 0.74 | HTR1A (0.48) | — | |
| SCHEMBL8710513 | 0.72 | ACHE (0.45) | NPC1RAB9ASMN1; SMN2ACHE | |
| SCHEMBL23924501 | 0.72 | CCR5 (0.40) | ALDH1A1OPRM1ACHE |
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-3883937-A1 | FREE AMINO COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2021-09-29 | — | — | EP | disclosed |