Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30923543 | 0.82 | SLC6A4 (0.45) | TSHRSLC6A4HTTCYP2D6ADRA2C | |
| SCHEMBL11650936 | 0.80 | TSHR (0.40) | TSHRSLC6A4HTTCYP2D6ADRA2C | |
| SCHEMBL6049968 | 0.78 | TSHR (0.44) | TSHRSLC6A4HTTCYP2D6ADRA2C | |
| SCHEMBL22403926 | 0.78 | TSHR (0.44) | TSHRSLC6A4HTTCYP2D6ADRA2C | |
| SCHEMBL18470550 | 0.76 | TAAR1 (0.50) | TSHRSLC6A4CYP2D6ADRA2CCHRM2 | |
| SCHEMBL416895 | 0.76 | TAAR1 (0.50) | TSHRSLC6A4CYP2D6ADRA2CCHRM2 | |
| SCHEMBL14431333 | 0.76 | TAAR1 (0.50) | TSHRSLC6A4CYP2D6ADRA2CCHRM2 | |
| SCHEMBL4593276 | 0.75 | ESR1 (0.60) | SLC6A4CYP2D6CHRM2ADRA1ACYP3A4 | |
| SCHEMBL8097006 | 0.75 | TAAR1 (0.40) | TSHRSLC6A4HTTCYP2D6ADRA2C | |
| SCHEMBL20306752 | 0.74 | RIPK1 (0.45) | SLC6A4CYP2D6ADRA2CCHRM2ADRA1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3601230-B1 | SYNTHESIS OF MCL-1 INHIBITOR | ASTRAZENECA AB (SE) | 2022-01-26 | — | — | EP | disclosed |
| EP-1240304-A1 | PERFUME COMPOSITIONS WITH ENHANCED VISCOSITY AND PROCESS FOR THEIR PREPARATION | THE PROCTER & GAMBLE COMPANY (US) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001046373-A1 | PERFUME COMPOSITIONS WITH ENHANCED VISCOSITY AND PROCESS FOR THEIR PREPARATION | THE PROCTER & GAMBLE COMPANY (US) | 2001-06-28 | — | — | WO | disclosed |
| EP-1053990-A2 | A method of producing an aromatic ketone and an aromatic ketone composition containing it | TORAY INDUSTRIES, INC. (JP) | 2000-11-22 | — | — | EP | disclosed |