Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3068808 | 0.74 | ALDH1A1 (0.34) | MEN1CYP3A4KMT2AALDH1A1 | |
| SCHEMBL28703679 | 0.74 | ALDH1A1 (0.34) | MEN1CYP3A4KMT2AALDH1A1 | |
| SCHEMBL19394028 | 0.71 | MEN1 (0.32) | MEN1CYP3A4KMT2AALDH1A1 | |
| SCHEMBL20629940 | 0.69 | ACE2 (0.31) | — | |
| SCHEMBL28520590 | 0.69 | — | — | |
| SCHEMBL1285149 | 0.69 | — | — | |
| SCHEMBL24914671 | 0.67 | ALDH1A1 (0.37) | CYP3A4ALDH1A1 | |
| SCHEMBL21574916 | 0.67 | SPHK1 (0.42) | MEN1CYP3A4KMT2A | |
| SCHEMBL11973508 | 0.67 | SPHK1 (0.42) | MEN1CYP3A4KMT2A | |
| SCHEMBL8751399 | 0.64 | METAP1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019014304-A1 | SPIROHEPTANYL HYDANTOINS AS ROCK INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-17 | — | — | WO | disclosed |