Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21280856 | 0.88 | SIGMAR1 (0.40) | TSHRHSD11B1KDM4EHTR1AHTR7 | |
| SCHEMBL14012786 | 0.83 | TSHR (0.51) | TSHRHSD11B1ALDH1A1KDM4EHTT | |
| SCHEMBL11559490 | 0.82 | ALDH1A1 (0.48) | TSHRALDH1A1KDM4EHTTPOLB | |
| SCHEMBL28856427 | 0.82 | — | — | |
| SCHEMBL9649485 | 0.81 | TSHR (0.51) | TSHRHSD11B1ALDH1A1KDM4EHTT | |
| SCHEMBL11149326 | 0.79 | TSHR (0.49) | TSHRHSD11B1ALDH1A1KDM4EHTT | |
| SCHEMBL10076105 | 0.79 | DRD3 (0.50) | TSHRHSD11B1ALDH1A1KDM4EHTT | |
| SCHEMBL19329792 | 0.79 | SIGMAR1 (0.53) | TSHRHSD11B1ALDH1A1KDM4EHTT | |
| SCHEMBL24260095 | 0.76 | TSHR (0.46) | TSHRHSD11B1ALDH1A1KDM4EPOLB | |
| SCHEMBL12766885 | 0.76 | TSHR (0.58) | TSHRHSD11B1ALDH1A1KDM4EHTT |
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-2017089390-A1 | JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-01 | — | — | WO | disclosed |