Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHMT2 | P34897 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MYC | P01106 | 3/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6945893 | 0.92 | SHMT2 (0.52) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| SCHEMBL13931173 | 0.81 | KMT2A (0.59) | GAAALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL8423942 | 0.79 | ALDH1A1 (0.43) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| SCHEMBL8633892 | 0.74 | SHMT2 (0.70) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| SCHEMBL14559419 | 0.71 | SHMT2 (0.54) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| SCHEMBL14559423 | 0.70 | SHMT2 (0.52) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| Phthalic Acid SCHEMBL1482851 | 0.69 | ALDH1A1 (0.74) | ALDH1A1MEN1KMT2APOLBMYC | |
| Phthalic Acid SCHEMBL9132518 | 0.69 | ALDH1A1 (0.74) | ALDH1A1MEN1KMT2APOLBMYC | |
| SCHEMBL10597685 | 0.67 | MAPT (0.60) | SHMT2GAAALDH1A1MEN1KMT2A | |
| Phthalic Acid SCHEMBL27458631 | 0.67 | ALDH1A1 (0.78) | ALDH1A1KMT2APOLBMYCNR4A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7109377-B2 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-19 | — | — | US | disclosed |
| US-6448443-B1 | GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-09-10 | — | — | US | disclosed |