Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | UGCG | Q16739 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | LTK | P29376 | 1/20 | 0.38 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 2/20 | 0.38 |
| ▸ | MC5R | P33032 | 2/20 | 0.38 |
| ▸ | MC3R | P41968 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL4282776 | 1.00 | EPHX2 (0.43) | EPHX2CYP3A4UGCGCA1CA2 | |
| SCHEMBL13705075 | 0.83 | ALDH1A1 (0.48) | CYP3A4UGCGKMT2A | |
| SCHEMBL4749948 | 0.74 | CA1 (0.62) | CA1CA2CA4CA9KMT2A | |
| SCHEMBL5719329 | 0.74 | CA1 (0.62) | CA1CA2CA4CA9KMT2A | |
| SCHEMBL3495230 | 0.74 | CA1 (0.62) | CA1CA2CA4CA9KMT2A | |
| SCHEMBL3492392 | 0.72 | CA1 (0.51) | CA1CA2CA4CA9CCR3 | |
| SCHEMBL2578568 | 0.71 | NPC1 (0.39) | CA1CA2CA9KMT2AHPGD | |
| SCHEMBL4286365 | 0.71 | PTGDR2 (0.39) | FFAR1KMT2AHPGD | |
| SCHEMBL4290915 | 0.71 | KMT2A (0.41) | KMT2A | |
| SCHEMBL4281831 | 0.71 | RAB9A (0.40) | CYP3A4KMT2AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008139941-A1 | SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-20 | — | — | WO | disclosed |