Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.59 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 2/20 | 0.53 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9070324 | 0.81 | GPR35 (0.51) | AKR1B1GPR35PTGS1POLBKDM4E | |
| SCHEMBL8106509 | 0.80 | AKR1B1 (0.56) | AKR1B1MAOBTP53THRBSLC2A1 | |
| SCHEMBL21786586 | 0.79 | AKR1B1 (0.60) | AKR1B1MAOBTP53THRBSLC2A1 | |
| SCHEMBL8317257 | 0.79 | AKR1B1 (0.53) | AKR1B1MAOBTP53THRBSLC2A1 | |
| SCHEMBL8827768 | 0.78 | AKR1B1 (0.55) | AKR1B1MAOBTP53THRBSLC2A1 | |
| SCHEMBL22617428 | 0.78 | MAOB (0.61) | AKR1B1MAOBTP53THRBSLC2A1 | |
| SCHEMBL7633152 | 0.78 | AKR1B1 (0.59) | AKR1B1MAOBTP53THRBSLC2A1 | |
| SCHEMBL19744202 | 0.78 | AKR1B1 (0.58) | AKR1B1MAOBTP53THRBSLC2A1 | |
| SCHEMBL19744184 | 0.77 | AKR1B1 (0.54) | AKR1B1MAOBTP53THRBSLC2A1 | |
| SCHEMBL4254725 | 0.77 | AKR1B1 (0.57) | AKR1B1MAOBTP53THRBSLC2A1 |
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-6100268-A | MIGRAINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2000-08-08 | — | — | US | disclosed |