Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28899623 | 0.80 | IDO1 (0.40) | CA12CA9IDO1TSHRCYP2D6 | |
| SCHEMBL8783162 | 0.80 | TSHR (0.36) | TSHRCYP2D6MEN1ALDH1A1KMT2A | |
| SCHEMBL23616865 | 0.79 | LMNA (0.50) | IDO1TSHRCYP2D6MAPTTAAR1 | |
| SCHEMBL29592621 | 0.78 | PKM (0.58) | AKR1B1CA12CA2CA1CA7 | |
| SCHEMBL1009146 | 0.78 | PKM (0.58) | AKR1B1CA12CA2CA1CA7 | |
| SCHEMBL28463483 | 0.77 | SLC6A2 (0.41) | CA2CA1TSHRHIF1AHTT | |
| SCHEMBL23617356 | 0.77 | CA3 (0.38) | CA9CA14TSHRHIF1AMAPT | |
| SCHEMBL8735383 | 0.75 | AKR1B1 (0.53) | AKR1B1HSPA5CA12CA2CA1 | |
| SCHEMBL3251246 | 0.75 | ALDH1A1 (0.44) | AKR1B1CA12CA2CA1CA9 | |
| SCHEMBL11131479 | 0.75 | AKR1B1 (0.52) | AKR1B1HSPA5CA12CA2CA9 |
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-3687506-B1 | SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS | BIOCRYST PHARM INC (US) | 2021-07-07 | — | — | EP | disclosed |