Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30601044 | 0.78 | MAOB (0.52) | MAOBMAOACYP19A1ALDH1A1CA12 | |
| SCHEMBL633486 | 0.78 | MAOB (0.52) | MAOBMAOACYP19A1ALDH1A1CA12 | |
| SCHEMBL27399787 | 0.78 | MAOB (0.52) | MAOBMAOACYP19A1ALDH1A1CA12 | |
| SCHEMBL14577805 | 0.78 | ACHE (0.46) | MAOBMAOACYP19A1ALDH1A1THRA | |
| SCHEMBL366865 | 0.77 | MAOB (0.56) | MAOBMAOACYP19A1ALDH1A1CA12 | |
| Hydrochloric Acid SCHEMBL6320078 | 0.76 | MAOB (0.53) | MAOBMAOACYP19A1ALDH1A1CA12 | |
| SCHEMBL1520696 | 0.75 | IDO1 (0.61) | MAOBMAOACYP3A4IDO1 | |
| SCHEMBL22702117 | 0.75 | MAOB (0.42) | MAOBMAOACYP19A1SIGMAR1 | |
| SCHEMBL1674458 | 0.74 | TSHR (0.52) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8011823 | 0.74 | CYP3A4 (0.50) | MAOBMAOACYP19A1ALDH1A1CA12 |
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-3302483-B1 | PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | HUTCHISON MEDIPHARMA LTD (CN) | 2020-04-15 | — | — | EP | disclosed |