Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | CASP2 | P42575 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8467692 | 0.98 | HSD17B3 (0.54) | HSD17B3SMN1; SMN2GAANOTUMHTT | |
| SCHEMBL29897959 | 0.81 | HTT (0.69) | HSD17B3SMN1; SMN2GAAHTTCASP3 | |
| SCHEMBL2798583 | 0.81 | HTT (0.69) | HSD17B3SMN1; SMN2GAAHTTCASP3 | |
| Hydrochloric Acid SCHEMBL8330290 | 0.75 | SMN1; SMN2 (0.73) | SMN1; SMN2GAAHTTCASP3CASP2 | |
| SCHEMBL8295319 | 0.74 | BRD4 (0.59) | HSD17B3SMN1; SMN2GAANOTUMHTT | |
| SCHEMBL8569782 | 0.74 | HSD17B3 (0.64) | HSD17B3SMN1; SMN2GAANOTUMHTT | |
| SCHEMBL14599902 | 0.72 | NOTUM (0.59) | HSD17B3SMN1; SMN2GAANOTUMHTT | |
| SCHEMBL30529514 | 0.71 | HSD17B3 (0.60) | HSD17B3SMN1; SMN2GAANOTUM | |
| SCHEMBL3115822 | 0.71 | HSD17B3 (0.60) | HSD17B3SMN1; SMN2GAANOTUM | |
| SCHEMBL6198391 | 0.71 | HSD17B3 (0.53) | HSD17B3SMN1; SMN2GAANOTUMHTT |
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-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |