Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.55 |
| ▸ | CA1 | P00915 | 5/20 | 0.55 |
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | CA9 | Q16790 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31113888 | 1.00 | CA12 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13306476 | 0.91 | CA12 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13306449 | 0.90 | CA12 (0.58) | CA12CA1CA2CA9BCHE | |
| SCHEMBL30189676 | 0.87 | CA12 (0.56) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL19783396 | 0.87 | CA12 (0.56) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL16406354 | 0.86 | CA12 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL30189758 | 0.84 | CA12 (0.53) | CA12CA1CA2CA9BCHE | |
| SCHEMBL19783376 | 0.84 | CA12 (0.53) | CA12CA1CA2CA9BCHE | |
| SCHEMBL13306475 | 0.83 | CA12 (0.54) | CA12CA1CA2CA9BCHE | |
| SCHEMBL21460898 | 0.83 | CA12 (0.56) | CA12CA1CA2CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |