Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IAPP | P10997 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HSP90B1 | P14625 | 9/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28602299 | 0.81 | ACLY (0.33) | POLBHPGDHSP90B1NPC1CYP1A2 | |
| SCHEMBL1405086 | 0.73 | CYP3A4 (0.43) | IAPPPKMALDH1A1POLBHPGD | |
| SCHEMBL28602468 | 0.73 | ERN1 (0.31) | POLBHPGDNPC1CYP1A2CYP2C19 | |
| SCHEMBL8571843 | 0.70 | FASN (0.52) | IAPPALDH1A1HPGDL3MBTL1NPC1 | |
| SCHEMBL3928289 | 0.70 | IAPP (0.44) | IAPPPKMALDH1A1HPGDNPC1 | |
| SCHEMBL1589643 | 0.69 | PKM (0.42) | IAPPPKMALDH1A1POLBHPGD | |
| Benzylacetone SCHEMBL29287626 | 0.68 | ALDH1A1 (0.68) | IAPPALDH1A1POLBHPGDL3MBTL1 | |
| SCHEMBL22209184 | 0.68 | CA2 (0.56) | IAPPALDH1A1HPGDNPC1CYP1A2 | |
| SCHEMBL27653650 | 0.67 | IAPP (0.53) | IAPPPKMALDH1A1POLBHPGD | |
| SCHEMBL28599061 | 0.67 | CYP19A1 (0.49) | ALDH1A1HPGDL3MBTL1NPC1CYP1A2 |
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 2 patents. 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 |
| CN-109293493-A | With the inhibition active novel benzhydryl class compound of mycobacterium tuberculosis | 清华大学 | 2019-02-01 | — | — | CN | disclosed |