Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL10032185 | 0.92 | CYP11B2 (0.42) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL10032654 | 0.92 | CCR1 (0.43) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL20176785 | 0.92 | CYP1A2 (0.42) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL10032752 | 0.88 | CYP3A4 (0.40) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL19170433 | 0.87 | CYP11B1 (0.42) | CYP1A2ALDH1A1CYP2C9HPGDSMN1; SMN2 | |
| SCHEMBL15977779 | 0.87 | CTRC (0.40) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL10032679 | 0.86 | CYP3A4 (0.43) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL15977410 | 0.86 | CTRC (0.42) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL10032730 | 0.86 | CYP3A4 (0.45) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL10032553 | 0.86 | METAP2 (0.40) | CCR1CCR5CCR8CYP3A4ALDH1A1 |
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-2012060374-A1 | ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-10 | — | — | WO | disclosed |