Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 3/20 | 0.44 |
| ▸ | GABRP | O00591 | 7/20 | 0.41 |
| ▸ | GABRD | O14764 | 7/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 7/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 7/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 7/20 | 0.41 |
| ▸ | GABRE | P78334 | 7/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 7/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 7/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 7/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 7/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10992566 | 0.82 | AHR (0.47) | PTPN1CA12CA9 | |
| SCHEMBL29955895 | 0.79 | CA9 (0.48) | CYP2A6PTPN1PIM1GABRPGABRD | |
| SCHEMBL9910631 | 0.79 | CA9 (0.48) | CYP2A6PTPN1PIM1GABRPGABRD | |
| SCHEMBL16974052 | 0.76 | CYP2A6 (0.45) | CYP2A6PTPN1PIM1GABRPGABRD | |
| SCHEMBL1253554 | 0.74 | KDM4E (0.48) | CYP2A6PTPN1CA9MAPTCASP1 | |
| SCHEMBL2588529 | 0.71 | PIM1 (0.58) | PTPN1PIM1GABRPGABRDGABRA1 | |
| SCHEMBL29416622 | 0.71 | PIM1 (0.58) | PTPN1PIM1GABRPGABRDGABRA1 | |
| SCHEMBL2521053 | 0.70 | TTR (0.59) | PTPN1PIM1GABRPGABRDGABRA1 | |
| SCHEMBL258689 | 0.70 | PIM1 (0.55) | CYP2A6PIM1GABRPGABRDGABRA1 | |
| SCHEMBL20335463 | 0.69 | ERN1 (0.34) | TSHRMAPTCASP1TP53CYP3A4 |
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 |