Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | PTPRC | P08575 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 4/20 | 0.32 |
| ▸ | HTR2C | P28335 | 4/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22744881 | 0.86 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3PTPRCCYP1A2 | |
| SCHEMBL6675583 | 0.82 | GPR3 (0.46) | SLC6A2SLC6A4SLC6A3CYP1A2MEN1 | |
| SCHEMBL4652200 | 0.81 | ALDH1A1 (0.37) | SLC6A2SLC6A4SLC6A3MAPK1PGR | |
| Iodide SCHEMBL8675587 | 0.78 | GPR3 (0.43) | SLC6A2SLC6A4SLC6A3CYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL8676327 | 0.78 | GPR3 (0.43) | SLC6A2SLC6A4SLC6A3CYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL8677327 | 0.78 | GPR3 (0.43) | SLC6A2SLC6A4SLC6A3CYP1A2MEN1 | |
| Iodide SCHEMBL8675592 | 0.78 | GPR3 (0.43) | SLC6A2SLC6A4SLC6A3CYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL8676324 | 0.78 | GPR3 (0.43) | SLC6A2SLC6A4SLC6A3CYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL8677320 | 0.78 | GPR3 (0.43) | SLC6A2SLC6A4SLC6A3CYP1A2MEN1 | |
| SCHEMBL4652193 | 0.78 | ALDH1A1 (0.38) | SLC6A2SLC6A4SLC6A3CYP1A2MEN1 |
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-1971621-A1 | PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS | ExxonMobil Chemical Patents Inc. (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007070045-A1 | PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |