Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 10/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MLNR | O43193 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7651058 | 0.99 | TNF (0.51) | TNFBCHELMNANPC1MLNR | |
| SCHEMBL7650048 | 0.98 | TNF (0.52) | TNFBCHELMNANPC1MLNR | |
| SCHEMBL7653532 | 0.97 | TNF (0.56) | TNFBCHELMNANPC1MLNR | |
| SCHEMBL7653776 | 0.97 | TNF (0.54) | TNFBCHELMNANPC1MLNR | |
| SCHEMBL7648402 | 0.97 | TNF (0.56) | TNFBCHELMNANPC1MLNR | |
| SCHEMBL7648518 | 0.96 | TNF (0.53) | TNFBCHELMNANPC1MLNR | |
| Hydrochloric Acid SCHEMBL7649578 | 0.96 | TNF (0.53) | TNFBCHELMNANPC1MLNR | |
| Hydrochloric Acid SCHEMBL7652091 | 0.95 | TNF (0.52) | TNFBCHELMNANPC1MLNR | |
| SCHEMBL7649983 | 0.92 | BCHE (0.50) | BCHELMNANPC1MLNRNR1I2 | |
| SCHEMBL7650544 | 0.90 | LMNA (0.49) | BCHELMNANPC1MLNRNR1I2 |
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 |