Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.41 |
| ▸ | AKR1C4 | P17516 | 3/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.32 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1707754 | 0.93 | AKR1B1 (0.31) | AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1 | |
| SCHEMBL1707742 | 0.90 | ALDH1A1 (0.30) | MAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL1708573 | 0.89 | LTB4R (0.33) | MAPTLTB4RLTB4R2ALDH1A1SMN1; SMN2 | |
| SCHEMBL1707802 | 0.88 | — | — | |
| SCHEMBL10009833 | 0.88 | AKR1C3 (0.41) | AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1 | |
| SCHEMBL10009839 | 0.88 | AKR1C3 (0.41) | AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1 | |
| SCHEMBL1707814 | 0.85 | — | — | |
| SCHEMBL1707704 | 0.84 | — | — | |
| SCHEMBL1708193 | 0.84 | — | — | |
| SCHEMBL1707739 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440541-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010143733-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-16 | — | — | WO | disclosed |