Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP14 | P50281 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL716944 | 0.84 | NR4A1 (0.58) | MMP2MMP14NR4A1ESR2MEN1 | |
| SCHEMBL19809245 | 0.84 | NR4A1 (0.58) | MMP2MMP14NR4A1ESR2MEN1 | |
| SCHEMBL436522 | 0.82 | NR4A1 (0.61) | MMP2MMP14NR4A1ESR2MEN1 | |
| SCHEMBL30040301 | 0.82 | NR4A1 (0.61) | MMP2MMP14NR4A1ESR2MEN1 | |
| SCHEMBL19899592 | 0.80 | QDPR (0.50) | ESR2MEN1KMT2AKDM4EGAA | |
| SCHEMBL563890 | 0.80 | MEN1 (0.61) | MMP2MMP14NR4A1ESR2MEN1 | |
| Hydrochloric Acid SCHEMBL10770715 | 0.80 | NR4A1 (0.58) | MMP2MMP14NR4A1ESR2MEN1 | |
| SCHEMBL1348470 | 0.78 | CYP3A4 (0.58) | MMP2MMP14NR4A1ESR2MEN1 | |
| SCHEMBL564520 | 0.78 | ALDH1A1 (0.58) | MMP2MMP14NR4A1ESR2MEN1 | |
| SCHEMBL27510157 | 0.78 | NR4A1 (0.56) | MMP2MMP14NR4A1ESR2MEN1 |
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-7365231-B2 | Compound with antitumor activity and preparation method therefor | NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) | 2008-04-29 | — | — | US | disclosed |