Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7703819 | 0.99 | MPO (0.50) | MPOMAPTGAAKCNA5CA12 | |
| SCHEMBL2479131 | 0.88 | PKM (0.46) | MPOMAPTCA12CA1CA2 | |
| SCHEMBL6711210 | 0.86 | ESR1 (0.49) | KCNA5CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL6758050 | 0.78 | HTT (0.52) | — | |
| SCHEMBL8528744 | 0.77 | ESR1 (0.41) | GAACA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL6710240 | 0.76 | ESR1 (0.40) | GAACA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL6710202 | 0.76 | ESR1 (0.45) | MAPTKCNA5CA12CA1CA2 | |
| SCHEMBL6712685 | 0.75 | KDM4E (0.49) | MAPTBCHESMN1; SMN2 | |
| SCHEMBL6711049 | 0.74 | ESR1 (0.56) | CA12CA1CA2CA9CA4 | |
| SCHEMBL28930178 | 0.74 | MPO (0.62) | MPOMAPTGAAKCNA5BCHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0898566-A1 | SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION | Akzo Nobel N.V. (NL) | 1999-03-03 | — | — | EP | disclosed |
| WO-1997040027-A1 | SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION | AKZO NOBEL N.V. (NL) | 1997-10-30 | — | — | WO | disclosed |