Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.46 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20954673 | 0.86 | GLA (0.59) | GLACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7035447 | 0.84 | HCAR2 (0.49) | GLACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4137771 | 0.84 | EGFR (0.47) | GLACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL788672 | 0.83 | EGFR (0.48) | GLAHCAR2MAOBMAPTGAA | |
| SCHEMBL27972481 | 0.82 | ALDH1A1 (0.55) | CYP3A4HCAR2HSP90AA1MMP1MMP2 | |
| SCHEMBL4151444 | 0.81 | TAAR1 (0.45) | GLACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL27787074 | 0.81 | MAPT (0.56) | MAPTMGAMGAASIMGAM2 | |
| SCHEMBL1557559 | 0.80 | ALDH1A1 (0.61) | MGAMGAASIMGAM2KMT2A | |
| SCHEMBL24241987 | 0.80 | CYP1A2 (0.56) | GLACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1511063 | 0.80 | CYP4F2 (0.55) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101784520-B | Novel malonic acid sulfonamide derivative and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORP | 2014-07-02 | — | — | CN | disclosed |
| CN-102791674-A | Compound having trimethylene structure, polymer compound containing unit that has trimethylene structure, and reactive compound having trimethylene structure | HITACHI CHEMICAL CO LTD | 2012-11-21 | — | — | CN | disclosed |
| CN-101784520-A | Novel malonic acid sulfonamide derivative and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORP | 2010-07-21 | — | — | CN | disclosed |