Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HEXA | P06865 | 2/20 | 0.35 |
| ▸ | HEXB | P07686 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12717320 | 0.89 | KDM4E (0.46) | IDO1KDM4EALDH1A1CYP1A2MAPT | |
| SCHEMBL4841423 | 0.87 | KDM4E (0.46) | KDM4EALDH1A1CYP1A2MAPK1HSD17B10 | |
| SCHEMBL1572963 | 0.80 | KDM4E (0.55) | KDM4EALDH1A1CYP1A2MAPK1HSD17B10 | |
| SCHEMBL1572910 | 0.80 | KDM4E (0.55) | KDM4EALDH1A1CYP1A2MAPK1HSD17B10 | |
| SCHEMBL1573080 | 0.79 | KDM4E (0.49) | KDM4EALDH1A1CYP1A2MAPK1HSD17B10 | |
| SCHEMBL11864905 | 0.75 | CYP1A2 (0.57) | KDM4EALDH1A1CYP1A2MAPK1HSD17B10 | |
| SCHEMBL1573037 | 0.75 | MAPT (0.41) | KDM4EALDH1A1CYP1A2MAPK1HSD17B10 | |
| SCHEMBL1573115 | 0.72 | KDM4E (0.61) | KDM4EALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL14313984 | 0.72 | KDM4E (0.44) | IDO1KDM4EALDH1A1MAPTLMNA | |
| SCHEMBL307618 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1542978-B1 | NOVEL BIO-ACTIVE MOLECULES | ORCHID RES LAB LTD (IN) | 2011-04-13 | — | — | EP | disclosed |
| US-7317014-B2 | Bio-active pyrimidine molecules | ORCHID RESEARCH LABORATORIES, LTD. (IN) | 2008-01-08 | — | — | US | disclosed |