Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | IL1B | P01584 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 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 | |
|---|---|---|---|---|
| SCHEMBL22482090 | 1.00 | ATM (0.37) | ATMALDH1A1KDM4EALOX15TACR1 | |
| SCHEMBL23573544 | 0.82 | TNF (0.32) | TNFIL1B | |
| SCHEMBL23573541 | 0.82 | TNF (0.32) | TNFIL1B | |
| SCHEMBL21306906 | 0.81 | ATM (0.39) | ATMALDH1A1KDM4EALOX15HSD11B1 | |
| SCHEMBL24159232 | 0.80 | DGAT1 (0.31) | — | |
| SCHEMBL24334237 | 0.79 | GAA (0.32) | HSD11B1MTNR1AMTNR1BPDK2 | |
| SCHEMBL23148736 | 0.74 | RECQL (0.32) | — | |
| SCHEMBL18214762 | 0.74 | ATM (0.42) | ATMALDH1A1KDM4EALOX15TLR4 | |
| SCHEMBL19995074 | 0.74 | TNF (0.33) | HSD11B1TNFIL1B | |
| SCHEMBL21407135 | 0.74 | TNF (0.33) | HSD11B1TNFIL1B |
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-2020198583-A1 | BICYCLIC JAK INHIBITORS AND USES THEREOF | INSILICO MEDICINE IP LIMITED (CN) | 2020-10-01 | — | — | WO | disclosed |