Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7778464 | 0.97 | ALDH1A1 (0.38) | ALDH1A1CYP1A2MAPK1SMN1; SMN2HPGD | |
| SCHEMBL3037561 | 0.90 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL29237189 | 0.79 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HPGDMMP1MMP2 | |
| SCHEMBL64790 | 0.73 | — | — | |
| SCHEMBL6704420 | 0.73 | ALDH1A1 (0.58) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| SCHEMBL9537676 | 0.73 | ALDH1A1 (0.58) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| SCHEMBL1151783 | 0.73 | ALDH1A1 (0.58) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| SCHEMBL31703586 | 0.73 | TFPI2 (0.30) | — | |
| SCHEMBL21291787 | 0.73 | ALDH1A1 (0.58) | ALDH1A1HPGDMMP1MMP2MMP3 | |
| SCHEMBL28449030 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5726126-A | 1-(3-heterocyclyphenyl)-S-triazine-2,6,6-oxo or thiotrione herbicidal agents | AMERICAN CYANAMID COMPANY (US) | 1998-03-10 | — | — | US | disclosed |