Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPIA | P62937 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11621531 | 0.81 | PPIA (0.40) | PPIAMEN1KMT2AESR1ESR2 | |
| SCHEMBL11854291 | 0.75 | HTR2A (0.44) | PPIA | |
| SCHEMBL11615288 | 0.73 | ESR2 (0.37) | PPIAMEN1KMT2AESR1ESR2 | |
| SCHEMBL3290310 | 0.72 | MEN1 (0.56) | PPIAMEN1KMT2ANOS1PARP1 | |
| SCHEMBL12813351 | 0.71 | PPIA (0.47) | PPIAMEN1KMT2AESR1ESR2 | |
| SCHEMBL21311751 | 0.71 | PPIA (0.40) | PPIAMEN1KMT2AESR1ESR2 | |
| SCHEMBL8894478 | 0.71 | PPIA (0.40) | PPIAMEN1KMT2AESR1ESR2 | |
| SCHEMBL7544039 | 0.71 | NOS1 (0.42) | PPIAMEN1KMT2AESR1ESR2 | |
| SCHEMBL1504379 | 0.71 | NOS1 (0.42) | PPIAMEN1KMT2AESR1ESR2 | |
| SCHEMBL22651823 | 0.69 | PPIA (0.33) | PPIAMEN1KMT2AESR1ESR2 |
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-4113726-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1978-09-12 | — | — | US | disclosed |
| US-3984419-A | HYPOTENSIVES | E. R. SQUIBB & SONS, INC. (US) | 1976-10-05 | — | — | US | disclosed |