Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3946468 | 0.77 | FFAR1 (0.49) | FFAR1CES2CES1HPGDRAB9A | |
| SCHEMBL4181737 | 0.76 | NPC1 (0.57) | FFAR1HPGDRAB9ACYP1A2CYP2C9 | |
| SCHEMBL28479005 | 0.75 | FFAR1 (0.58) | FFAR1CES2CES1AKR1B1RAB9A | |
| SCHEMBL18104962 | 0.75 | FFAR1 (0.46) | FFAR1CES2CES1HPGDRAB9A | |
| SCHEMBL7202747 | 0.75 | HSP90AA1 (0.49) | FFAR1CES1HPGDRAB9AKDM4E | |
| SCHEMBL29966032 | 0.74 | SMN1; SMN2 (0.55) | HPGDRAB9AKDM4EMEN1KMT2A | |
| SCHEMBL4175290 | 0.72 | FFAR1 (0.46) | FFAR1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL8022360 | 0.72 | FFAR1 (0.44) | FFAR1CES2CES1HPGDRAB9A | |
| SCHEMBL1159454 | 0.72 | GRM5 (0.46) | FFAR1CES2CES1HPGDRAB9A | |
| SCHEMBL28502889 | 0.71 | FFAR1 (0.44) | FFAR1CES2CES1RAB9AKDM4E |
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-110183397-B | Method for preparing 1, 5-benzothiazine compound by catalysis of zirconocene dichloride | 陕西师范大学 | 2022-08-23 | — | — | CN | disclosed |
| CN-110698426-B | Method for preparing 1, 3-benzothiazole derivative by efficient catalysis of potassium tert-butoxide | 陕西师范大学 | 2022-08-23 | — | — | CN | disclosed |