Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.55 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | UGCG | Q16739 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1062658 | 0.88 | SMO (0.68) | SMONPC1MAPTMEN1ALDH1A1 | |
| SCHEMBL1061984 | 0.86 | SMO (0.49) | SMOMEN1KMT2A | |
| SCHEMBL1063151 | 0.85 | SMO (0.59) | SMOGRIA2GRIA4NPC1MAPT | |
| SCHEMBL27836580 | 0.85 | SMO (0.40) | SMOBRPF1GRIA2GRIA4NPC1 | |
| SCHEMBL1060340 | 0.82 | SMO (0.60) | SMOMAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL28806337 | 0.82 | SMO (0.81) | SMONPC1ALDH1A1KMT2A | |
| SCHEMBL1061404 | 0.82 | SMO (0.53) | SMOBRD4MEN1ALDH1A1KMT2A | |
| SCHEMBL1057222 | 0.81 | SMO (0.52) | SMOMAPTSMN1; SMN2 | |
| SCHEMBL10004618 | 0.81 | SMO (0.51) | SMOMAPTALDH1A1 | |
| SCHEMBL1061882 | 0.81 | SMO (0.46) | SMOMEN1KMT2A |
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-102015705-B | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2013-11-13 | — | — | CN | disclosed |