Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL177056 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2C9HSD17B10HDAC2HDAC3 | |
| SCHEMBL432225 | 0.77 | CYP1A2 (0.69) | CYP1A2HDAC2HDAC3HDAC4HDAC1 | |
| SCHEMBL432226 | 0.77 | CYP1A2 (0.69) | CYP1A2HDAC2HDAC3HDAC4HDAC1 | |
| SCHEMBL8065789 | 0.76 | HSD11B1 (0.50) | CYP1A2CYP2C9TRPA1NPC1RAB9A | |
| SCHEMBL5454115 | 0.76 | PTGS2 (0.47) | CYP1A2CYP2C9HSD17B10HDAC2HDAC3 | |
| SCHEMBL1821847 | 0.75 | GLA (0.60) | CYP1A2CYP2C9HDAC2HDAC3HDAC4 | |
| 1,4-Dichlorobenzene SCHEMBL76049 | 0.73 | ALOX15 (0.60) | CYP1A2CYP2C9HSD17B10NPC1HTT | |
| SCHEMBL22995639 | 0.73 | TRPA1 (0.60) | CYP1A2CYP2C9HSD17B10HDAC2HDAC3 | |
| SCHEMBL10351283 | 0.73 | ALDH1A1 (0.67) | CYP1A2CYP2C9HSD17B10HDAC2HDAC3 | |
| SCHEMBL13843800 | 0.73 | HDAC2 (0.66) | CYP1A2HDAC2HDAC3HDAC4HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105073109-A | Therapeutic agent for eye disorder | ASKAT INC | 2015-11-18 | — | — | CN | claimed |
| CN-115583919-A | Preparation method of 6-oxyalkyl 1,2,4-triazine-3,5 (2H, 4H) -diketone derivative | 河北工业大学 | 2023-01-10 | — | — | CN | disclosed |
| CN-105073109-A | Therapeutic agent for eye disorder | ASKAT INC | 2015-11-18 | — | — | CN | disclosed |