Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28604219 | 0.82 | IMPDH2 (0.40) | PTPN1NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL28608376 | 0.77 | CYP3A4 (0.38) | PTPN1NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL28604124 | 0.75 | IMPDH2 (0.39) | PTPN1NPC1RAB9ACYP1A2KDM4E | |
| Butanone SCHEMBL28601497 | 0.70 | BACE1 (0.39) | PTPN1LMNACYP3A4MAPTALDH1A1 | |
| SCHEMBL28604126 | 0.69 | IAPP (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19BACE1 | |
| SCHEMBL28612715 | 0.67 | IAPP (0.42) | PKMNPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL25722866 | 0.67 | CYP3A4 (0.42) | PTPN1KDM4ECYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL28599061 | 0.66 | CYP19A1 (0.49) | PTPN1NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL8571843 | 0.66 | FASN (0.52) | NPC1RAB9ACYP1A2KDM4ELMNA | |
| SCHEMBL28603859 | 0.65 | ALOX5 (0.41) | NPC1RAB9ACYP1A2KDM4ELMNA |
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 |