Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.36 |
| ▸ | CDK9 | P50750 | 2/20 | 0.36 |
| ▸ | HASPIN | Q8TF76 | 2/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | GABRE | P78334 | 1/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.32 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.32 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953438 | 0.75 | CYP2A6 (0.58) | CYP2A6IMPDH2IMPDH1HTR1DHTR1B | |
| SCHEMBL11761255 | 0.75 | CYP2A6 (0.58) | CYP2A6IMPDH2IMPDH1HTR1DHTR1B | |
| SCHEMBL29953267 | 0.75 | CYP2A6 (0.41) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL29956942 | 0.75 | CYP2A6 (0.57) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL29953318 | 0.75 | CYP2A6 (0.41) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL25269046 | 0.75 | CYP2A6 (0.57) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL29956329 | 0.75 | CYP2A6 (0.41) | CYP2A6CCNT1CDK9HASPINIMPDH2 | |
| SCHEMBL19780531 | 0.75 | CCNT1 (0.36) | CCNT1CDK9HASPINIMPDH2IMPDH1 | |
| SCHEMBL19780528 | 0.75 | HASPIN (0.36) | CCNT1CDK9HASPINIMPDH2IMPDH1 | |
| SCHEMBL25219803 | 0.71 | ALDH1A1 (0.42) | CYP2A6CCNT1CDK9HASPINIMPDH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |