Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19198529 | 0.94 | CYP3A4 (0.36) | ESR1RAPGEF4CYP1A2CYP2C19 | |
| SCHEMBL10072631 | 0.84 | CYP3A4 (0.55) | CYP1A2KDM4EALDH1A1POLBMAPT | |
| SCHEMBL850793 | 0.84 | ESR1 (0.30) | ESR1 | |
| SCHEMBL18619502 | 0.84 | ESR1 (0.30) | ESR1 | |
| SCHEMBL2741245 | 0.84 | ALDH1A1 (0.50) | ESR1CYP1A2CYP2C19KDM4EUSP2 | |
| SCHEMBL26288061 | 0.84 | CYP3A4 (0.34) | ESR1RAPGEF4KDM4EALDH1A1POLB | |
| SCHEMBL12702757 | 0.80 | MAPT (0.43) | KDM4EALDH1A1POLBMAPTHSD17B10 | |
| SCHEMBL14367957 | 0.80 | ALDH1A1 (0.33) | ESR1RAPGEF4KDM4EALDH1A1POLB | |
| SCHEMBL11017296 | 0.80 | CD44 (0.44) | ESR1CYP1A2KDM4EALDH1A1MAPT | |
| SCHEMBL9230506 | 0.80 | RAPGEF4 (0.32) | ESR1RAPGEF4HSD17B10MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021127305-A1 | METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER STEM CELLS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2021-06-24 | — | — | WO | disclosed |
| WO-2018089967-A1 | INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2018-05-17 | — | — | WO | disclosed |