Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CTSG | P08311 | 1/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | CTRC | Q99895 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30672032 | 0.85 | ALDH1A1 (0.40) | SIGMAR1ALDH1A1LMNANPSR1F2 | |
| SCHEMBL28419013 | 0.82 | ALDH1A1 (0.33) | SIGMAR1ALDH1A1LMNANPSR1F2 | |
| SCHEMBL27507721 | 0.77 | SIGMAR1 (0.38) | SIGMAR1ALDH1A1LMNAF2PLG | |
| SCHEMBL27515932 | 0.75 | ACHE (0.41) | SIGMAR1ALDH1A1LMNANPSR1F2 | |
| SCHEMBL5610169 | 0.75 | SIGMAR1 (0.36) | SIGMAR1ALDH1A1F2PLGELANE | |
| SCHEMBL28656106 | 0.74 | CYP19A1 (0.36) | SIGMAR1ALDH1A1LMNAF2PLG | |
| Hydrochloric Acid SCHEMBL28350609 | 0.74 | ACHE (0.40) | SIGMAR1ALDH1A1LMNANPSR1F2 | |
| Bromide SCHEMBL27410484 | 0.74 | SIGMAR1 (0.35) | SIGMAR1ALDH1A1F2PLGELANE | |
| Bromide SCHEMBL27722888 | 0.74 | ACHE (0.40) | SIGMAR1ALDH1A1LMNANPSR1F2 | |
| Bromide SCHEMBL29099283 | 0.72 | CYP19A1 (0.35) | SIGMAR1ALDH1A1LMNAF2PLG |
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 |
|---|---|---|---|---|---|---|---|
| US-5344891-A | Acrylonitrile, quaternization | MITSUBISHI RAYON CO., LTD. (JP) | 1994-09-06 | — | — | US | disclosed |