Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865764 | 0.98 | SLC6A2 (0.53) | ESR1ESR2BLMSLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL8866021 | 0.96 | SLC6A2 (0.52) | ESR1ESR2BLMSLC6A2TAAR1 | |
| SCHEMBL8866151 | 0.95 | BLM (0.56) | ESR1ESR2BLMSLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL8865821 | 0.93 | BLM (0.54) | ESR1ESR2BLMSLC6A2TAAR1 | |
| SCHEMBL5329248 | 0.93 | ESR1 (0.64) | ESR1ESR2BLMSLC6A2CYP3A4 | |
| Acetic Acid SCHEMBL8866221 | 0.88 | BLM (0.62) | ESR1ESR2BLMSLC6A2CYP3A4 | |
| SCHEMBL855070 | 0.85 | TAAR1 (0.64) | SLC6A2TAAR1CYP3A4KIF11SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7266792 | 0.83 | TAAR1 (0.61) | SLC6A2TAAR1CYP3A4KIF11SMN1; SMN2 | |
| SCHEMBL5308339 | 0.81 | SLC6A2 (0.55) | SLC6A2TAAR1KIF11SMN1; SMN2HIF1A | |
| SCHEMBL28287638 | 0.81 | KIF11 (0.54) | ESR1ESR2BLMSLC6A2TAAR1 |
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-5539120-A | Arylalkyl-amines having anticonvulsant and neuroprotective properties | AGENCE SPATIALE EUROPEENNE (FR) | 1996-07-23 | — | — | US | disclosed |
| WO-1991011995-A1 | ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES | FISONS CORPORATION (US) | 1991-08-22 | — | — | WO | disclosed |