Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.42 |
| ▸ | WNT3A | P56704 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9699266 | 0.95 | CYP2A6 (0.66) | CYP2A6SMN1; SMN2HPGDKDM4ECYP1A2 | |
| SCHEMBL13422352 | 0.91 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2HPGDKDM4ECYP1A2 | |
| SCHEMBL2758626 | 0.84 | CYP2A6 (0.55) | CYP2A6SMN1; SMN2HPGDKDM4ECYP1A2 | |
| SCHEMBL2774094 | 0.84 | SMN1; SMN2 (0.72) | SMN1; SMN2HPGDKDM4ECYP1A2RAB9A | |
| SCHEMBL10456611 | 0.81 | CYP2A6 (0.56) | CYP2A6SMN1; SMN2HPGDKDM4ECYP1A2 | |
| SCHEMBL30253453 | 0.81 | CYP2A6 (0.56) | CYP2A6SMN1; SMN2HPGDKDM4ECYP1A2 | |
| SCHEMBL3035986 | 0.81 | NPC1 (0.67) | SMN1; SMN2HPGDKDM4ERAB9ANPC1 | |
| SCHEMBL4071129 | 0.80 | RAB9A (0.51) | CYP2A6SMN1; SMN2HPGDKDM4ECYP1A2 | |
| SCHEMBL2758624 | 0.80 | PTPN1 (0.68) | CYP2A6SMN1; SMN2HPGDKDM4ECYP1A2 | |
| SCHEMBL12520194 | 0.80 | CYP2A6 (0.59) | CYP2A6SMN1; SMN2HPGDKDM4ECYP1A2 |
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-111909023-A | High pressure condensate formation in the manufacture of purified aromatic carboxylic acids | BP北美公司 | 2020-11-10 | — | — | CN | disclosed |