Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9326106 | 0.82 | CA1 (0.57) | MEN1KMT2ACA1CA2CA7 | |
| SCHEMBL30948566 | 0.82 | CA1 (0.57) | MEN1KMT2ACA1CA2CA7 | |
| SCHEMBL7940715 | 0.79 | KCNN4 (0.51) | MEN1KMT2AGAARAB9ASMN1; SMN2 | |
| SCHEMBL8573466 | 0.76 | ALDH1A1 (0.52) | MEN1KMT2ACA2RAB9ASMN1; SMN2 | |
| SCHEMBL29509424 | 0.75 | MEN1 (0.45) | MEN1KMT2ACA1CA2CA7 | |
| SCHEMBL29771456 | 0.73 | CA2 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL142899 | 0.73 | CA2 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL19468259 | 0.73 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8784464 | 0.73 | CA1 (0.57) | MEN1KMT2ACA1CA2CA7 | |
| SCHEMBL17931719 | 0.73 | ESR1 (0.60) | MEN1KMT2ANR3C2SMN1; SMN2NFE2L2 |
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-1996002494-A1 | BENZOCYCLOALKYLAMINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-02-01 | — | — | WO | disclosed |