Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 3/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7034470 | 0.85 | CYP3A4 (0.39) | ALDH1A1TSHRHTR2AHRH1TAAR1 | |
| SCHEMBL7036393 | 0.81 | CYP3A4 (0.36) | ALDH1A1TSHRHTR2AHRH1TAAR1 | |
| SCHEMBL9190955 | 0.79 | CYP3A4 (0.43) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL8780860 | 0.79 | TDP1 (0.43) | ALDH1A1TSHRTDP1CYP3A4ESR1 | |
| SCHEMBL5003760 | 0.76 | KCNH2 (0.41) | ALDH1A1TSHRHTR2AHRH1TDP1 | |
| SCHEMBL3164447 | 0.76 | TAAR1 (0.46) | ALDH1A1TSHRHTR2AHRH1TAAR1 | |
| SCHEMBL8652282 | 0.76 | KCNH2 (0.41) | ALDH1A1TSHRHTR2AHRH1TDP1 | |
| SCHEMBL20027358 | 0.76 | LMNA (0.53) | ALDH1A1TSHRHTR2ACYP3A4AOC3 | |
| SCHEMBL9187620 | 0.75 | TDP1 (0.39) | ALDH1A1TSHRTAAR1TDP1CYP3A4 | |
| SCHEMBL6242982 | 0.75 | CYP3A4 (0.35) | ALDH1A1TAAR1TDP1CYP3A4ESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729448-B1 | PROCESS FOR THE PREPARATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | SHELL INT RESEARCH (NL) | 1998-10-14 | — | — | EP | disclosed |
| EP-0729448-A1 | PROCESS FOR THE PREPARATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995014001-A1 | PROCESS FOR THE PREPARATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1995-05-26 | — | — | WO | disclosed |