Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10004194 | 0.94 | SMO (0.63) | SMOEPHX2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL10003866 | 0.91 | SMO (0.74) | SMOEPHX2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL10004250 | 0.90 | SMO (0.58) | SMOEPHX2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL12825267 | 0.87 | SMO (0.54) | SMOEPHX2HSD17B10ALDH1A1KMT2A | |
| SCHEMBL10003950 | 0.87 | SMO (0.67) | SMOHSD17B10KDM4EALDH1A1TP53 | |
| SCHEMBL10004660 | 0.86 | SMO (0.67) | SMOEPHX2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL10004318 | 0.86 | SMO (0.61) | SMOEPHX2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL10004761 | 0.86 | SMO (0.62) | SMOEPHX2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL10004765 | 0.85 | SMO (0.74) | SMOEPHX2 | |
| SCHEMBL10003646 | 0.85 | SMO (0.80) | SMOEPHX2HSD17B10KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574851-A | Fused heterocyclic ring derivative and use thereof | TAKEDA PHARMACEUTICAL | 2012-07-11 | — | — | CN | disclosed |