Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.47 |
| ▸ | TUBB | P07437 | 2/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.47 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.47 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.47 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.47 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.47 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.47 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.47 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.47 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29128886 | 1.00 | CYP19A1 (0.50) | CYP19A1KDM4ETUBB4ATUBBTUBA3C | |
| SCHEMBL29128891 | 0.86 | PDE5A (0.56) | KDM4ECYP1A2CYP3A4NFKB1PDE5A | |
| SCHEMBL30739471 | 0.86 | PDE5A (0.56) | KDM4ECYP1A2CYP3A4NFKB1PDE5A | |
| SCHEMBL28058580 | 0.84 | TERT (0.61) | KDM4ETUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL16983387 | 0.81 | PDE5A (0.49) | KDM4ETUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL30800382 | 0.80 | PPARG (0.60) | KDM4ETUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL29128893 | 0.80 | PPARG (0.60) | KDM4ETUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL29129648 | 0.79 | PPARG (0.57) | PDE5AGAAMAPT | |
| SCHEMBL30739468 | 0.79 | PPARG (0.57) | PDE5AGAAMAPT | |
| SCHEMBL28664743 | 0.74 | PDE5A (0.54) | KDM4ENFKB1PDE5AMEN1KMT2A |
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-117269395-A | Construction method of qi fingerprint of agilawood and fingerprint thereof | 中国中医科学院中药研究所 | 2023-12-22 | — | — | CN | claimed |
| CN-117269395-A | Construction method of qi fingerprint of agilawood and fingerprint thereof | 中国中医科学院中药研究所 | 2023-12-22 | — | — | CN | disclosed |