Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28079592 | 0.82 | CA1 (0.34) | TSHRHPGDALDH1A1 | |
| SCHEMBL22385 | 0.82 | — | — | |
| SCHEMBL28079407 | 0.80 | CA1 (0.36) | TSHRHPGDALDH1A1 | |
| SCHEMBL5115 | 0.76 | — | — | |
| SCHEMBL64218 | 0.73 | — | — | |
| SCHEMBL5521 | 0.73 | — | — | |
| SCHEMBL6132442 | 0.73 | — | — | |
| SCHEMBL8774 | 0.73 | — | — | |
| SCHEMBL20555881 | 0.73 | — | — | |
| SCHEMBL27653376 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458815-B | Condensed double-aryl fullerene derivate | 默克专利股份有限公司 | 2019-11-15 | — | — | CN | disclosed |
| CN-106103436-B | Organic semiconductor compound | 默克专利股份有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-109314184-A | Organic semiconductor | 默克专利股份有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-106458808-A | Fullerene derivatives | 默克专利股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106458815-A | Fused bis-aryl fullerene derivatives | 默克专利股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106103436-A | Organic semiconductor compound | 默克专利股份有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-105765028-A | Conjugated polymers | 默克专利股份有限公司 | 2016-07-13 | — | — | CN | disclosed |