Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.38 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29569802 | 0.86 | CA1 (0.62) | CA1CA2CA9CYP19A1MAOA | |
| SCHEMBL3482569 | 0.86 | CA1 (0.62) | CA1CA2CA9CYP19A1MAOA | |
| SCHEMBL30324526 | 0.86 | CA1 (0.62) | CA1CA2CA9CYP19A1MAOA | |
| SCHEMBL9719373 | 0.86 | CA1 (0.62) | CA1CA2CA9CYP19A1MAOA | |
| SCHEMBL8732128 | 0.82 | TSHR (0.46) | CYP11B1CYP11B2CYP17A1ALDH1A1TSHR | |
| SCHEMBL16443297 | 0.82 | CYP19A1 (0.69) | CA1CA2CA9CYP19A1MAOA | |
| 4,4'-Methylenedianiline SCHEMBL20917783 | 0.82 | CYP19A1 (0.69) | CA1CA2CA9CYP19A1MAOA | |
| SCHEMBL29929353 | 0.82 | CYP19A1 (0.69) | CA1CA2CA9CYP19A1MAOA | |
| SCHEMBL125532 | 0.82 | CYP19A1 (0.69) | CA1CA2CA9CYP19A1MAOA | |
| SCHEMBL49433 | 0.82 | MAOB (0.62) | CA1CA2CA9CYP19A1MAOA |
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-2534191-B1 | PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION | ROLIC TECH AG (CH) | 2020-04-15 | — | — | EP | disclosed |