Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19960649 | 0.84 | EGFR (0.39) | EGFRCYP2D6ALDH1A1KDM4EMAPT | |
| SCHEMBL6024348 | 0.74 | EGFR (0.49) | EGFRALDH1A1KDM4EMAPTL3MBTL1 | |
| SCHEMBL19960702 | 0.73 | FABP5 (0.41) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL7681777 | 0.73 | MAPT (0.58) | EGFRALDH1A1KDM4EMAPTL3MBTL1 | |
| SCHEMBL11197568 | 0.72 | PARP1 (0.49) | ALDH1A1KDM4EMAPTL3MBTL1IDO1 | |
| SCHEMBL10957521 | 0.72 | ALDH1A1 (0.41) | EGFRALDH1A1KDM4EMAPTL3MBTL1 | |
| SCHEMBL19960475 | 0.71 | EGFR (0.38) | EGFRALDH1A1KDM4EMAPTL3MBTL1 | |
| SCHEMBL11340291 | 0.69 | EGFR (0.36) | EGFRCYP2D6ALDH1A1KDM4EMAPT | |
| SCHEMBL19960622 | 0.69 | HDAC4 (0.44) | EGFRCYP2D6ALDH1A1KDM4EMAPT | |
| SCHEMBL11208873 | 0.68 | HTR5A (0.41) | ALDH1A1KDM4EMAPTL3MBTL1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |