Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.43 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.43 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL75802 | 0.83 | CYP2D6 (0.45) | EGLN1EGLN3SLC1A5PTGDR2MEN1 | |
| SCHEMBL14784333 | 0.82 | CYP1A2 (0.48) | CYP1A2LMNARAB9ACYP2C9CYP2C19 | |
| SCHEMBL10362542 | 0.75 | LMNA (0.49) | EGLN1SLC1A5PTGDR2MEN1KMT2A | |
| SCHEMBL75765 | 0.75 | PTGDR2 (0.51) | EGLN1SLC1A5PTGDR2MEN1KMT2A | |
| SCHEMBL27234459 | 0.74 | ESR1 (0.44) | EGLN1SLC1A5CHRM2LMNAALDH1A1 | |
| SCHEMBL25437999 | 0.73 | GRM5 (0.38) | CYP1A2EGLN1EGLN3CYP2C19 | |
| SCHEMBL12016065 | 0.72 | LMNA (0.46) | MEN1KMT2ACHRM2CHRM1LMNA | |
| SCHEMBL17555048 | 0.71 | LMNA (0.43) | CYP1A2EGLN1SLC1A5PTGDR2MEN1 | |
| SCHEMBL25199212 | 0.71 | PTGDR2 (0.46) | EGLN1PTGDR2MEN1KMT2ALMNA | |
| SCHEMBL6774688 | 0.70 | NPC1 (0.42) | PTGDR2MEN1KMT2ACHRM1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2627181-A2 | HETEROARYLS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012051410-A2 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-04-19 | — | — | WO | disclosed |