Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.53 |
| ▸ | CA1 | P00915 | 6/20 | 0.53 |
| ▸ | CA2 | P00918 | 6/20 | 0.53 |
| ▸ | CA7 | P43166 | 6/20 | 0.53 |
| ▸ | CA9 | Q16790 | 6/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.53 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.51 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23905496 | 0.79 | ALOX15 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23904828 | 0.77 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4166286 | 0.77 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23905509 | 0.73 | PTPN11 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13266684 | 0.72 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| Ethylgallate SCHEMBL39599 | 0.72 | SERPINE1 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23905322 | 0.72 | PTPN11 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL163865 | 0.72 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4586506 | 0.71 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11219628 | 0.71 | CA12 (0.66) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021198981-A1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | Janssen Biopharma, Inc. (US) | 2021-10-07 | — | — | WO | disclosed |