Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | ACP1 | P24666 | 1/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL23130217 | 0.85 | MTNR1A (0.31) | MTNR1AMTNR1BCYP1A2MAPTCYP2C9 | |
| SCHEMBL23837439 | 0.82 | MTNR1A (0.33) | TRPA1MTNR1AMTNR1BPTPN1ACP1 | |
| SCHEMBL18966482 | 0.79 | MTNR1A (0.31) | MTNR1AMTNR1BCYP1A2MAPTCYP2C9 | |
| SCHEMBL23837583 | 0.79 | TSHR (0.35) | TRPA1TSHRL3MBTL1CDC25BCYP1A2 | |
| SCHEMBL23837590 | 0.79 | ALDH1A1 (0.39) | TRPA1MTNR1AMTNR1BTSHRTDP1 | |
| SCHEMBL23837493 | 0.78 | MTNR1A (0.33) | MTNR1AMTNR1BCYP1A2MAPTCYP2C9 | |
| SCHEMBL23130304 | 0.76 | MTNR1A (0.34) | MTNR1AMTNR1B | |
| SCHEMBL23837490 | 0.75 | HTR1A (0.34) | MTNR1AMTNR1BTDP1L3MBTL1CYP1A2 | |
| SCHEMBL18966989 | 0.73 | MTNR1A (0.31) | MTNR1AMTNR1BCYP1A2MAPTCYP2C9 | |
| SCHEMBL23837525 | 0.71 | — | — |
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-2017100537-A1 | BETA-LACTAMASE INHIBITORS | VenatoRx Pharmaceuticals, Inc. (US) | 2017-06-15 | — | — | WO | disclosed |