Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | SHBG | P04278 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1401449 | 0.82 | PPARA (0.56) | ESR2LMNAMAPTGAASMN1; SMN2 | |
| SCHEMBL5058622 | 0.77 | CA12 (0.61) | LMNAMAPTGAASMN1; SMN2HTT | |
| SCHEMBL25666683 | 0.76 | MAPT (0.54) | ESR1SHBGESR2LMNANPC1 | |
| SCHEMBL105417 | 0.75 | HSP90AB1 (0.70) | ESR1SHBGESR2LMNANPC1 | |
| SCHEMBL11109183 | 0.74 | PPARA (0.72) | ESR1SHBGLMNAMAPTHTT | |
| SCHEMBL6289032 | 0.74 | CYP4F2 (0.66) | LMNARAB9AMAPTMEN1ALDH1A1 | |
| SCHEMBL16185986 | 0.74 | NPC1 (0.49) | ESR1SHBGESR2LMNANPC1 | |
| Water SCHEMBL1231468 | 0.74 | HSP90AB1 (0.68) | ESR1SHBGESR2LMNANPC1 | |
| SCHEMBL11103511 | 0.73 | PPARA (0.75) | ESR1SHBGLMNAMAPTHTT | |
| SCHEMBL3174922 | 0.72 | NPC1 (0.66) | LMNANPC1RAB9AMAPTALOX12 |
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 |