Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | AGXT | P21549 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 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 | |
|---|---|---|---|---|
| SCHEMBL19821752 | 0.83 | CYP2A6 (0.59) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL5538543 | 0.79 | CYP2A6 (0.63) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL3413507 | 0.76 | CYP2A6 (0.64) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL6964036 | 0.75 | CYP2A6 (0.54) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL11221971 | 0.75 | CYP2A6 (0.58) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL13749693 | 0.74 | CYP2A6 (0.57) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL21697570 | 0.74 | CYP2A6 (0.49) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL29534459 | 0.74 | CYP2A6 (0.61) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL631264 | 0.74 | CYP2A6 (0.61) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL11221999 | 0.73 | CYP2A6 (0.51) | CYP2A6ASIC3LOXL2ADRB2AGXT |
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-2968258-B1 | DUAL SGLT1/SGLT2 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-02-12 | — | — | EP | disclosed |