Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17459525 | 0.92 | HTT (0.55) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL17459505 | 0.89 | GFER (0.54) | KDM4EBACE1HTTMEN1ALDH1A1 | |
| SCHEMBL17459507 | 0.89 | HTT (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL17459519 | 0.86 | SLC6A4 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6053412 | 0.79 | HTT (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29045583 | 0.77 | MEN1 (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL17459516 | 0.76 | PTPN1 (0.51) | KDM4ECYP1A2CYP2C19EGFRMEN1 | |
| SCHEMBL17459524 | 0.76 | HPGD (0.45) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14149752 | 0.75 | BACE1 (0.56) | KDM4EBACE1HTTMEN1ALDH1A1 | |
| SCHEMBL17459528 | 0.75 | PTGS1 (0.49) | KDM4EBACE1ALDH1A1KMT2AHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016013976-A1 | METHOD OF FORMING A MULTI-SUBSTITUTED BENZENE COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-01-28 | — | — | WO | claimed |
| WO-2016013976-A1 | METHOD OF FORMING A MULTI-SUBSTITUTED BENZENE COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-01-28 | — | — | WO | disclosed |
| WO-2016013976-A1 | METHOD OF FORMING A MULTI-SUBSTITUTED BENZENE COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-01-28 | — | — | WO | disclosed |