Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 4/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12587137 | 0.85 | CYP3A4 (0.38) | CYP3A4MAPTALOX5PTGS2MEN1 | |
| SCHEMBL320899 | 0.83 | CYP3A4 (0.64) | CYP3A4MAPTALOX5PTGS2MEN1 | |
| SCHEMBL28612479 | 0.82 | CYP3A4 (0.39) | CYP3A4MAPTMEN1KMT2ARXFP1 | |
| SCHEMBL28603871 | 0.82 | TNFRSF1A (0.38) | CYP3A4MAPTMEN1KMT2ARXFP1 | |
| SCHEMBL1606682 | 0.78 | ALDH1A1 (0.42) | CYP3A4MAPTMEN1KMT2ABACE1 | |
| SCHEMBL15114736 | 0.78 | TNFRSF1A (0.40) | CYP3A4MEN1KMT2ARXFP1CYP1A1 | |
| SCHEMBL6099115 | 0.77 | MAOB (0.53) | CYP3A4MAPTPTGS2MEN1KMT2A | |
| SCHEMBL28614800 | 0.76 | CYP3A4 (0.45) | CYP3A4MAPTMEN1KMT2ABACE1 | |
| SCHEMBL6036396 | 0.73 | BACE1 (0.47) | CYP3A4MAOBBACE1PTPN1TDP1 | |
| SCHEMBL69301 | 0.73 | CYP3A4 (0.56) | CYP3A4MAPTALOX5PTGS2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109293493-B | Novel benzhydryl compounds with mycobacterium tuberculosis inhibiting activity | 清华大学 | 2021-08-03 | — | — | CN | disclosed |