Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7052526 | 0.88 | CYP2D6 (0.39) | ALDH1A1MAPK1KMT2A | |
| SCHEMBL29165673 | 0.74 | ALDH1A1 (0.39) | ACP3PTGS2CHRNB2CHRNA4CYP3A4 | |
| SCHEMBL6233892 | 0.73 | PTGS2 (0.41) | ACP3PTGS2CHRNB2CHRNA4CYP17A1 | |
| SCHEMBL4637121 | 0.69 | ALDH1A1 (0.50) | ACP3PTGS2CHRNB2CHRNA4CYP17A1 | |
| SCHEMBL2554928 | 0.69 | ACP3 (0.47) | ACP3PTGS2CHRNB2CHRNA4CYP3A4 | |
| SCHEMBL13368895 | 0.69 | ACP3 (0.47) | ACP3PTGS2CHRNB2CHRNA4CYP3A4 | |
| SCHEMBL332255 | 0.68 | SRR (0.47) | ACP3ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL1515909 | 0.67 | ACP3 (0.48) | ACP3PTGS2CHRNB2CHRNA4CYP17A1 | |
| SCHEMBL7024449 | 0.67 | DPP4 (0.41) | CHRNB2CHRNA4ALDH1A1HTR2AMAPK1 | |
| Biphenyl SCHEMBL28018506 | 0.67 | ALDH1A1 (0.53) | CYP3A4ALDH1A1MEN1TP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105899521-A | Method for preparing borylated aromatic hydrocarbons | 陶氏益农公司 | 2016-08-24 | — | — | CN | disclosed |