Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | DTYMK | P23919 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13684476 | 0.82 | NOD2 (0.44) | ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2 | |
| SCHEMBL3255649 | 0.82 | CCR2 (0.55) | TSHRMCL1CCR2ALDH1A1KDM4E | |
| SCHEMBL26581762 | 0.80 | MCL1 (0.49) | MCL1CCR2ALDH1A1KDM4EHPGD | |
| SCHEMBL28461196 | 0.74 | CCR2 (0.45) | TSHRCASP6CCR2ALDH1A1KDM4E | |
| SCHEMBL3021221 | 0.72 | ALDH1A1 (0.41) | MCL1CCR2ALDH1A1KDM4EHPGD | |
| SCHEMBL8985891 | 0.72 | MCL1 (0.55) | MCL1CCR2ALDH1A1KDM4EHPGD | |
| SCHEMBL10233030 | 0.70 | MCL1 (0.57) | TSHRMCL1CCR2ALDH1A1KDM4E | |
| SCHEMBL26683715 | 0.70 | TSHR (0.44) | TSHRCASP6ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL31060526 | 0.69 | MCL1 (0.47) | MCL1CCR2ALDH1A1KDM4EHPGD | |
| SCHEMBL23809519 | 0.69 | MCL1 (0.44) | MCL1CCR2ALDH1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2522657-B1 | INDOLE DERIVATIVE | TAKEDA PHARMACEUTICAL (JP) | 2016-08-03 | — | — | EP | disclosed |