Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | ADAMTS5 | Q9UNA0 | 3/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11239836 | 0.88 | ESR1 (0.56) | ESR1PARP1 | |
| SCHEMBL11351356 | 0.86 | ESR1 (0.54) | ESR1PARP1CHRM3ROCK2ROCK1 | |
| SCHEMBL11223035 | 0.83 | OXER1 (0.55) | ESR1PARP1ADAMTS5 | |
| SCHEMBL11342351 | 0.83 | ESR1 (0.60) | ESR1PARP1HTR2A | |
| SCHEMBL11239440 | 0.80 | KMT2A (0.53) | ESR1 | |
| SCHEMBL11223398 | 0.79 | ADAM17 (0.57) | ESR1PARP1 | |
| SCHEMBL11247608 | 0.78 | ESR1 (0.48) | ESR1PARP1ADAMTS5 | |
| SCHEMBL11348678 | 0.77 | AVPR1A (0.48) | ESR1PARP1ADAMTS5 | |
| SCHEMBL11347461 | 0.75 | ALDH1A1 (0.53) | ESR1 | |
| SCHEMBL11335727 | 0.75 | ESR1 (0.61) | ESR1PARP1ADAMTS5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0007399-B1 | INDOLYLALKYL AMINES, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR MANUFACTURE | MERCK PATENT GmbH (DE) | 1982-01-20 | — | — | EP | disclosed |
| US-4251538-A | Indolealkylamines and processes for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-02-17 | — | — | US | disclosed |
| EP-0022317-A1 | 2-Oxo-benzothiazoline, benzoxazoline or indoline derivatives, their preparation, and pharmaceutical compositions comprising such derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-01-14 | — | — | EP | disclosed |
| EP-0007399-A1 | Indolylalkyl amines, pharmaceutical preparations containing them and process for their manufacture | MERCK PATENT GmbH (DE) | 1980-02-06 | — | — | EP | disclosed |