Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.37 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.37 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.37 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.37 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.37 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL795029 | 0.75 | SIRT1 (0.54) | SIRT1MAPTTDP1KDM4ENSD2 | |
| SCHEMBL15624506 | 0.75 | HTR1A (0.40) | TDP1ALDH1A1HTR1AHTR3AL3MBTL1 | |
| SCHEMBL624408 | 0.74 | CYP3A4 (0.44) | SIRT1MAPTTDP1KDM4ENSD2 | |
| SCHEMBL2894246 | 0.74 | ALDH1A1 (0.44) | SIRT1MAPTTDP1KDM4ENSD2 | |
| SCHEMBL3897215 | 0.73 | SIRT1 (0.52) | SIRT1MAPTTDP1KDM4ENSD2 | |
| SCHEMBL3900082 | 0.73 | SIRT1 (0.52) | SIRT1MAPTTDP1KDM4ENSD2 | |
| SCHEMBL3897205 | 0.73 | SIRT1 (0.52) | SIRT1MAPTTDP1KDM4ENSD2 | |
| SCHEMBL14259069 | 0.73 | ALDH1A1 (0.36) | MAPTKDM4EMAPK1HPGDALDH1A1 | |
| SCHEMBL17847456 | 0.71 | CYP3A4 (0.41) | SIRT1MAPTTDP1KDM4ENSD2 | |
| SCHEMBL11119109 | 0.71 | MAOA (0.52) | SIRT1MAPTTDP1KDM4ENSD2 |
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-111217731-B | Ortho-imine ester or cyano-substituted aryl thioether derivative, preparation and application thereof | 广东工业大学 | 2022-06-03 | — | — | CN | disclosed |
| CN-111217731-A | Ortho-imine ester or cyano-substituted aryl thioether derivative, preparation and application thereof | 广东工业大学 | 2020-06-02 | — | — | CN | disclosed |