Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL20118762 | 0.98 | ALDH1A1 (0.38) | ALDH1A1CYP2D6SIGMAR1MEN1LMNA | |
| SCHEMBL21707956 | 0.95 | ALDH1A1 (0.40) | ALDH1A1CYP2D6SIGMAR1MEN1LMNA | |
| SCHEMBL19139659 | 0.93 | ALDH1A1 (0.41) | ALDH1A1CYP2D6SIGMAR1MEN1LMNA | |
| SCHEMBL18595691 | 0.93 | ALDH1A1 (0.41) | ALDH1A1CYP2D6SIGMAR1MEN1LMNA | |
| SCHEMBL13199865 | 0.93 | SMN1; SMN2 (0.35) | ALDH1A1LMNATSHRCPN1CPB2 | |
| SCHEMBL13451823 | 0.91 | ALDH1A1 (0.36) | ALDH1A1CYP2D6SIGMAR1MEN1LMNA | |
| SCHEMBL25151798 | 0.88 | SLC6A2 (0.35) | ALDH1A1SLC6A2SLC6A4SLC6A3EPHX1 | |
| SCHEMBL12309036 | 0.88 | SLC6A2 (0.35) | ALDH1A1SLC6A2SLC6A4SLC6A3EPHX1 | |
| SCHEMBL27289508 | 0.88 | SLC6A2 (0.35) | ALDH1A1SLC6A2SLC6A4SLC6A3EPHX1 | |
| SCHEMBL25625516 | 0.84 | CPN1 (0.38) | ALDH1A1CYP2D6SIGMAR1MEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9586952-B2 | Polycyclic estrogen receptor modulators and uses thereof | GENENTECH, INC. (US) | 2017-03-07 | — | — | US | disclosed |