Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HSPB1 | P04792 | 3/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31104539 | 0.89 | PDE7A (0.47) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL29888161 | 0.86 | MEN1 (0.53) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL216106 | 0.86 | MEN1 (0.53) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL29151304 | 0.85 | ALDH1A1 (0.49) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL24167691 | 0.83 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL1193081 | 0.83 | PDE7A (0.48) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL5565238 | 0.83 | HSPB1 (0.49) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL30929726 | 0.83 | HSPB1 (0.49) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL1554051 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL1192920 | 0.83 | MEN1 (0.49) | ALDH1A1TDP1TSHRCYP3A4MEN1 |
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-117980309-A | Tricyclic fused pyrimidine compounds useful as HER2 inhibitors | 百时美施贵宝公司 | 2024-05-03 | — | — | CN | disclosed |