Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31089002 | 0.88 | NPSR1 (0.37) | KMT2ANPSR1HPGDMAPTSMN1; SMN2 | |
| SCHEMBL28871842 | 0.85 | GPR35 (0.36) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29725940 | 0.85 | GPR35 (0.36) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24555571 | 0.85 | GPR35 (0.36) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31751050 | 0.85 | MAPT (0.45) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13437542 | 0.81 | BACE1 (0.33) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29725964 | 0.81 | BACE1 (0.34) | NPSR1THRBGPR35 | |
| SCHEMBL29725911 | 0.81 | BACE1 (0.34) | NPSR1THRBGPR35 | |
| SCHEMBL23259944 | 0.81 | BACE1 (0.34) | NPSR1THRBGPR35 | |
| SCHEMBL28957391 | 0.81 | BACE1 (0.34) | NPSR1THRBGPR35 |
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-2024175907-A1 | MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS | C4X DISCOVERY LIMITED (GB) | 2024-08-29 | — | — | WO | disclosed |