Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | TACR2 | P21452 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10901560 | 0.86 | ESR1 (0.57) | ESR1ESR2CA2KDM4EALDH1A1 | |
| Raspberryketone SCHEMBL43308 | 0.81 | ALDH1A1 (0.65) | ESR1ESR2CA2KDM4EALDH1A1 | |
| SCHEMBL10909669 | 0.81 | ESR1 (0.56) | ESR1ESR2CA2KDM4EALDH1A1 | |
| SCHEMBL27673017 | 0.79 | ESR1 (0.54) | ESR1ESR2CA2KDM4EALDH1A1 | |
| SCHEMBL7946947 | 0.78 | TAAR1 (0.50) | KDM4EALDH1A1CYP2C19HTR3ATAAR1 | |
| SCHEMBL28026743 | 0.78 | TAAR1 (0.50) | ALDH1A1TAAR1POLB | |
| SCHEMBL9253136 | 0.78 | TAAR1 (0.50) | TAAR1PTGS1PTGS2SLC5A1HPGD | |
| SCHEMBL27576975 | 0.78 | GFER (0.59) | ALDH1A1TDP1CYP3A4CYP19A1TSHR | |
| SCHEMBL3873458 | 0.78 | ESR1 (1.00) | ESR1ESR2CA2KDM4EALDH1A1 | |
| SCHEMBL69344 | 0.78 | ESR1 (1.00) | ESR1ESR2CA2KDM4EALDH1A1 |
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-6417209-B2 | NON-IMMUNOSUPPRESSIVE, PIPERIDINO OR PYRROLIDINO AMIDE DERIVATIVE HAS AN AFFINITY FOR AN FKBP-TYPE IMMUNOPHILIN, USEFUL FOR TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS | GPI NIL HOLDINGS, INC. | 2002-07-09 | — | — | US | disclosed |
| US-3943254-A | ALPHA-AMINOMETHYL-4-HYDROXY-3-SULFAMYL BENZYL ALCOHOLS OR 4-HYDROXY-3-SULFAMYL-PHENETHYLAMINE | SMITHKLINE CORPORATION (US) | 1976-03-09 | — | — | US | disclosed |