Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.48 |
| ▸ | MAOA | P21397 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28479614 | 0.81 | MAOB (0.61) | MAOBMAOACYP1A2CYP2D6CYP19A1 | |
| Biphenyl SCHEMBL5533056 | 0.79 | ALDH1A1 (0.45) | MAOBMAOACYP1A2CYP2D6NPC1 | |
| SCHEMBL29360780 | 0.79 | KDM4E (0.68) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| Benzene SCHEMBL29224585 | 0.79 | KDM4E (0.68) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28062312 | 0.79 | KDM4E (0.68) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL35754 | 0.79 | KDM4E (0.68) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL301762 | 0.77 | KDM4E (0.65) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL354271 | 0.77 | KDM4E (0.65) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| Bromide SCHEMBL10756432 | 0.77 | KDM4E (0.65) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL15555165 | 0.77 | KDM4E (0.65) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106519226-B | Polytriazoles resin derived from a kind of trifunctional alkynes and preparation method thereof | 华东理工大学 | 2019-03-29 | — | — | CN | claimed |
| CN-106519226-A | Three-functional-group alkyne derived polytriazole resin and preparation method thereof | 华东理工大学 | 2017-03-22 | — | — | CN | claimed |
| CN-106519226-B | Polytriazoles resin derived from a kind of trifunctional alkynes and preparation method thereof | 华东理工大学 | 2019-03-29 | — | — | CN | disclosed |
| CN-106519226-A | Three-functional-group alkyne derived polytriazole resin and preparation method thereof | 华东理工大学 | 2017-03-22 | — | — | CN | disclosed |