Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 3/20 | 0.48 |
| ▸ | TNKS | O95271 | 2/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11222496 | 0.90 | ESR1 (0.51) | ESR1ALDH1A1KMT2AMAPTLMNA | |
| SCHEMBL11335727 | 0.90 | ESR1 (0.61) | ESR1ALDH1A1KMT2AMAPTLMNA | |
| SCHEMBL11249424 | 0.89 | KDM4E (0.53) | ESR1ALDH1A1KMT2AMAPTLMNA | |
| SCHEMBL11247608 | 0.84 | ESR1 (0.48) | ESR1ALDH1A1KMT2AMAPTPARP1 | |
| SCHEMBL11347533 | 0.83 | ALDH1A1 (0.55) | ESR1ALDH1A1KMT2AMAPTLMNA | |
| SCHEMBL11231076 | 0.82 | ESR1 (0.52) | ESR1MAPTLMNAPARP1TNKS | |
| SCHEMBL11244654 | 0.81 | SIGMAR1 (0.54) | ALDH1A1KMT2AMAPTLMNAHTT | |
| SCHEMBL11787894 | 0.81 | CHRNA7 (0.52) | ALDH1A1KMT2AMAPTLMNAHTT | |
| SCHEMBL11348685 | 0.79 | ESR1 (0.58) | ESR1ALDH1A1MAPTPARP1TNKS | |
| SCHEMBL11327374 | 0.79 | ESR1 (0.46) | ESR1ALDH1A1KMT2AMAPTHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4251538-A | Indolealkylamines and processes for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-02-17 | — | — | US | disclosed |