Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | GRM6 | O15303 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17459513 | 0.87 | TRPA1 (0.49) | KDM4EALDH1A1HPGDCYP3A4SMN1; SMN2 | |
| SCHEMBL17459512 | 0.87 | TRPA1 (0.49) | KDM4EALDH1A1HPGDCYP3A4SMN1; SMN2 | |
| SCHEMBL17469335 | 0.86 | TRPA1 (0.48) | KDM4EALDH1A1HPGDCYP3A4SMN1; SMN2 | |
| SCHEMBL17469387 | 0.81 | RAB9A (0.45) | POLBADORA3KDM4EALDH1A1HTT | |
| SCHEMBL17469386 | 0.80 | MAPT (0.47) | GAAADORA3KDM4EALDH1A1HPGD | |
| SCHEMBL16307435 | 0.76 | CYP3A4 (0.52) | POLBKDM4EALDH1A1HPGDCYP3A4 | |
| SCHEMBL17459521 | 0.75 | BCL2L1 (0.46) | GAAALDH1A1HTTSMN1; SMN2TRPA1 | |
| SCHEMBL17459520 | 0.75 | BCL2L1 (0.46) | GAAALDH1A1HTTSMN1; SMN2TRPA1 | |
| SCHEMBL17469394 | 0.75 | BCHE (0.46) | KDM4EALDH1A1HPGDCYP3A4SMN1; SMN2 | |
| SCHEMBL17469313 | 0.74 | TTR (0.42) | GAAALDH1A1HTTSMN1; SMN2TRPA1 |
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-2016013976-A1 | METHOD OF FORMING A MULTI-SUBSTITUTED BENZENE COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-01-28 | — | — | WO | disclosed |