Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9058299 | 0.69 | — | — | |
| SCHEMBL11220132 | 0.66 | SMN1; SMN2 (0.53) | ALDH1A1CYP3A4TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL9056993 | 0.65 | NISCH (0.47) | ALDH1A1LMNACYP2D6RAB9AADRA2A | |
| SCHEMBL17887757 | 0.65 | NISCH (0.47) | ALDH1A1LMNACYP2D6RAB9AADRA2A | |
| SCHEMBL23418719 | 0.65 | SMN1; SMN2 (0.49) | ALDH1A1LMNACYP3A4CYP2D6TSHR | |
| SCHEMBL8322886 | 0.64 | ADRA2A (0.44) | LMNACYP2D6RAB9ASMN1; SMN2MAPT | |
| SCHEMBL9054406 | 0.64 | — | — | |
| SCHEMBL23418855 | 0.64 | ALDH1A1 (0.50) | ALDH1A1LMNACYP3A4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL8327692 | 0.64 | NISCH (0.46) | LMNACYP2D6RAB9AMAPTADRA2A | |
| SCHEMBL3188900 | 0.63 | RAB9A (0.47) | ALDH1A1LMNACYP3A4CYP2D6TSHR |
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-1996014842-A1 | SUBSTITUTED HETEROCYCLES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |