Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 15/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HK1 | P19367 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7648268 | 0.88 | TNF (0.53) | TNF | |
| SCHEMBL7650610 | 0.87 | TNF (0.51) | TNFALDH1A1 | |
| SCHEMBL7648315 | 0.86 | TNF (0.50) | TNFALDH1A1 | |
| SCHEMBL7651785 | 0.84 | TNF (0.48) | TNFALDH1A1SMN1; SMN2 | |
| SCHEMBL7649768 | 0.84 | TNF (0.70) | TNFALDH1A1HDAC1CTNNB1 | |
| SCHEMBL7654430 | 0.84 | TNF (0.70) | TNFALDH1A1HDAC1CTNNB1 | |
| SCHEMBL7654237 | 0.82 | PER2 (0.38) | TNFALDH1A1HK1SMN1; SMN2HKDC1 | |
| SCHEMBL14266802 | 0.81 | FAAH (0.51) | TNFFAAHALDH1A1HK1SMN1; SMN2 | |
| SCHEMBL7648223 | 0.80 | TNF (0.45) | TNFSMN1; SMN2 | |
| SCHEMBL354801 | 0.78 | RXFP1 (0.55) | TNFFAAHALDH1A1SMN1; SMN2HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6407116-B1 | 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| EP-1026160-A1 | NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-09 | — | — | EP | disclosed |