Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 2/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3125629 | 0.79 | PDE4A (0.72) | EGFRPDE4AABCB1MEN1KMT2A | |
| SCHEMBL16788881 | 0.72 | PDE4A (0.62) | EGFRPDE4AABCB1MEN1KMT2A | |
| SCHEMBL9618242 | 0.72 | PDE4A (0.62) | EGFRPDE4AABCB1MEN1KMT2A | |
| SCHEMBL28350964 | 0.71 | PDE4A (0.56) | PDE4AABCB1MEN1KMT2AKDM4E | |
| SCHEMBL24425880 | 0.67 | EGFR (1.00) | EGFRABCB1MEN1KMT2AKDM4E | |
| SCHEMBL27915929 | 0.67 | PDE4A (0.59) | PDE4AABCB1MEN1KMT2AKDM4E | |
| SCHEMBL6827893 | 0.66 | PDE4A (0.57) | PDE4AABCB1MEN1KMT2AKDM4E | |
| SCHEMBL7654419 | 0.66 | CYP1B1 (0.61) | PDE4AABCB1MEN1KMT2AKDM4E | |
| SCHEMBL28068547 | 0.65 | LCK (0.44) | PDE4AABCB1MEN1KMT2AKDM4E | |
| SCHEMBL27898377 | 0.64 | CYP1B1 (0.55) | PDE4AABCB1MEN1KMT2AKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105530931-B | Pharmaceutical combination for the treatment of melanoma | 皮拉马尔企业有限公司 | 2019-11-08 | — | — | CN | disclosed |
| CN-105530931-A | Pharmaceutical combination for the treatment of melanoma | PIRAMAL ENTPR LTD | 2016-04-27 | — | — | CN | disclosed |
| CN-104220066-A | Pharmaceutical composition of paclitaxel and CDK inhibitor | PIRAMAL LIFE SCIENCES LTD | 2014-12-17 | — | — | CN | disclosed |
| CN-101472888-B | Optically pure flavone derivatives for treating proliferative disorders and process for preparing same | PIRAMAL LIFE SCIENCES LTD | 2014-02-26 | — | — | CN | disclosed |
| WO-1996031206-A2 | FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1996-10-10 | — | — | WO | disclosed |