Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 5/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11563083 | 0.83 | NOS3 (0.39) | NOS3NOS1NOS2TRPA1SIGMAR1 | |
| SCHEMBL20581797 | 0.80 | TRPA1 (0.40) | NOS3NOS1NOS2TRPA1SIGMAR1 | |
| SCHEMBL14300643 | 0.79 | NOS3 (0.39) | NOS3NOS1NOS2TRPA1SIGMAR1 | |
| SCHEMBL822111 | 0.79 | HRH4 (0.40) | NOS3NOS1NOS2TRPA1SIGMAR1 | |
| SCHEMBL5833897 | 0.79 | NOS3 (0.44) | NOS3NOS1NOS2TRPA1SIGMAR1 | |
| SCHEMBL13408650 | 0.75 | HRH4 (0.37) | NOS3NOS1NOS2TRPA1SIGMAR1 | |
| SCHEMBL11234716 | 0.75 | NOS3 (0.36) | NOS3NOS1NOS2TRPA1SIGMAR1 | |
| SCHEMBL85780 | 0.75 | TRPA1 (0.37) | NOS3NOS1NOS2TRPA1SIGMAR1 | |
| SCHEMBL14402445 | 0.75 | HRH4 (0.37) | NOS3NOS1NOS2TRPA1SIGMAR1 | |
| SCHEMBL28861156 | 0.75 | NOS3 (0.36) | NOS3NOS1NOS2TRPA1SIGMAR1 |
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-0001546-A1 | 2-Guanidinomethyl-indolines, method for their preparation and their pharmaceutical use | Merck Patent GmbH (DE) | 1979-05-02 | — | — | EP | disclosed |