Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19822973 | 1.00 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| SCHEMBL19822972 | 0.94 | CYP2D6 (0.48) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| SCHEMBL11792373 | 0.91 | ESR1 (0.55) | CYP3A4THRATHRBESR1ADRA2A | |
| SCHEMBL23084176 | 0.89 | NPC1 (0.53) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| SCHEMBL19822991 | 0.87 | THRA (0.49) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| SCHEMBL7531375 | 0.87 | NPC1 (0.53) | CYP3A4CYP2D6CYP2C9THRATHRB | |
| SCHEMBL13297208 | 0.86 | HTR2A (0.54) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL25491723 | 0.85 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL18405929 | 0.85 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A | |
| SCHEMBL18405975 | 0.85 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9ESR1ADRA2A |
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-1097188-B1 | USE OF AMINO AZOIC DYES AS MARKERS OF OIL DISTILLATION PRODUCTS | SIAC IT ADDITIVI CARBURANTI (IT) | 2002-04-10 | — | — | EP | disclosed |
| US-6339145-B1 | ADDING TO OIL DISTILLATION PRODUCTS AN AMINO AZOIC DYE COMPOUND | SOCIETA' ITALIANA ADDITIVI PER CARBURANTI S.R.L. (IT) | 2002-01-15 | — | — | US | disclosed |