Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 4/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15158530 | 0.77 | CCR1 (0.65) | CCR1CCR5CCR8HDAC6KDM1A | |
| SCHEMBL12973167 | 0.77 | CCR1 (0.46) | CCR1CCR5CCR8HDAC6KDM1A | |
| SCHEMBL10022205 | 0.75 | CCR1 (0.38) | CCR1CCR5CCR8HDAC6 | |
| SCHEMBL12973175 | 0.73 | CYP3A4 (0.43) | CCR1CCR5CCR8HDAC6KDM1A | |
| SCHEMBL14988156 | 0.73 | KDM1A (0.44) | CCR1CCR5CCR8HDAC6KDM1A | |
| SCHEMBL10021966 | 0.72 | HSD17B1 (0.44) | CYP11B1CYP11B2 | |
| SCHEMBL18573279 | 0.72 | HSD17B1 (0.42) | CCR1CCR5CCR8HDAC6KDM1A | |
| SCHEMBL21604055 | 0.70 | — | — | |
| SCHEMBL20204393 | 0.69 | DHODH (0.48) | KDM1ACYP3A4CYP2A6CYP11B1CYP11B2 | |
| SCHEMBL10033050 | 0.69 | OXTR (0.41) | GRM5CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012043891-A1 | AGENT FOR TREATMENT OF EYE DISEASES | ダイトーケミックス株式会社 (JP) | 2012-04-05 | — | — | WO | disclosed |