Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GSR | P00390 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2461330 | 1.00 | IGF1R (0.37) | IGF1RCYP1A2GSRMEN1KMT2A | |
| SCHEMBL28306985 | 0.81 | ALDH1A1 (0.42) | GSRMEN1KMT2APOLBCA12 | |
| SCHEMBL5164396 | 0.81 | ACHE (0.42) | GSRMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL6258107 | 0.81 | ALDH1A1 (0.53) | CYP1A2MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL3336779 | 0.80 | GSR (0.55) | GSRMEN1KMT2AALDH1A1KDM4E | |
| Fluoride SCHEMBL28046654 | 0.78 | GSR (0.53) | GSRMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL11040665 | 0.74 | GAA (0.39) | MEN1KMT2APOLBMMP2ALDH1A1 | |
| SCHEMBL2761707 | 0.72 | MAPT (0.40) | MEN1KMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL11043092 | 0.72 | GSR (0.46) | GSRMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL22559438 | 0.71 | ALDH1A1 (0.38) | IGF1RCYP1A2MEN1KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2544818-A1 | CHIRAL HETEROGENEOUS CATALYST FOR ASYMMETRIC NITROALDOL REACTION | Council of Scientific & Industrial Research (IN) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011110895-A1 | CHIRAL HETEROGENEOUS CATALYST FOR ASYMMETRIC NITROALDOL REACTION | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2011-09-15 | — | — | WO | disclosed |