Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PRKDC | P78527 | 2/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14279666 | 0.87 | HTR1A (0.44) | PIK3CAPRKDCMTORALDH1A1KDM4E | |
| SCHEMBL2797642 | 0.84 | PIK3CA (0.42) | PIK3CAPRKDCMTORALDH1A1HTT | |
| SCHEMBL13264345 | 0.84 | KCNH2 (0.39) | KMT2AMTNR1AMTNR1BNPSR1 | |
| SCHEMBL14279499 | 0.82 | PIK3CA (0.43) | PIK3CAPRKDCMTORALDH1A1STS | |
| SCHEMBL10285202 | 0.80 | KMT2A (0.38) | PIK3CAPRKDCKMT2AMTNR1AMTNR1B | |
| SCHEMBL1712574 | 0.78 | PIK3CA (0.41) | PIK3CAPRKDCMTORALDH1A1STS | |
| SCHEMBL14279672 | 0.78 | KDM4E (0.53) | ALDH1A1CCR5HTTMEN1KMT2A | |
| SCHEMBL13264611 | 0.77 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL13264451 | 0.77 | SIGMAR1 (0.46) | ALDH1A1KMT2AKDM4E | |
| SCHEMBL2796205 | 0.76 | KMT2A (0.44) | ALDH1A1HTTMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2468743-A1 | Nitrogen-containing bicyclic compounds useful as antibacterial agents | Toyama Chemical Co., Ltd. (JP) | 2012-06-27 | — | — | EP | disclosed |