Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | PARP1 | P09874 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11231076 | 0.92 | ESR1 (0.52) | ESR1PARP1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL11351370 | 0.90 | ESR1 (0.52) | ESR1PARP1MAPTKDM4EPOLB | |
| SCHEMBL11348685 | 0.89 | ESR1 (0.58) | ESR1PARP1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL11342351 | 0.88 | ESR1 (0.60) | ESR1PARP1TNKSPARP2 | |
| SCHEMBL11222496 | 0.88 | ESR1 (0.51) | ESR1PARP1MAPTPOLBALDH1A1 | |
| SCHEMBL11348655 | 0.87 | ESR1 (0.56) | ESR1PARP1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL11249424 | 0.86 | KDM4E (0.53) | ESR1PARP1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL11239836 | 0.83 | ESR1 (0.56) | ESR1PARP1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL11228025 | 0.80 | SIGMAR1 (0.59) | PARP1MEN1KMT2ATSHRPARP2 | |
| SCHEMBL11784439 | 0.79 | CHRNA7 (0.56) | — |
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-4251538-A | Indolealkylamines and processes for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-02-17 | — | — | US | disclosed |
| EP-0007399-A1 | Indolylalkyl amines, pharmaceutical preparations containing them and process for their manufacture | MERCK PATENT GmbH (DE) | 1980-02-06 | — | — | EP | disclosed |