Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY1 | P47900 | 2/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 2/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL28884498 | 0.99 | P2RY1 (0.45) | P2RY1NTRK1SMYD3LMNAGAA | |
| SCHEMBL28883958 | 0.95 | P2RY1 (0.46) | P2RY1NTRK1SMYD3GAAKMT2A | |
| SCHEMBL21753629 | 0.83 | P2RY1 (0.51) | P2RY1NTRK1LMNAGAAKMT2A | |
| SCHEMBL21753653 | 0.80 | P2RY1 (0.48) | P2RY1NTRK1SMYD3GAAKMT2A | |
| SCHEMBL25763290 | 0.75 | LMNA (0.41) | P2RY1NTRK1SMYD3LMNAGAA | |
| SCHEMBL21753659 | 0.75 | NTRK1 (0.44) | P2RY1NTRK1LMNAGAAKMT2A | |
| SCHEMBL21775698 | 0.74 | ALDH1A1 (0.41) | P2RY1NTRK1SMYD3LMNAGAA | |
| SCHEMBL21753607 | 0.73 | NTRK1 (0.45) | P2RY1NTRK1LMNAGAAKMT2A | |
| SCHEMBL21753619 | 0.73 | NTRK1 (0.50) | P2RY1NTRK1LMNAGAAHTT | |
| SCHEMBL21753616 | 0.73 | ALDH1A1 (0.50) | P2RY1NTRK1LMNAGAAHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110857285-B | Substituted pyrazole compound, preparation method, pharmaceutical composition and application thereof | 江苏万高药业股份有限公司 | 2022-12-20 | — | — | CN | disclosed |
| CN-110857285-A | Substituted pyrazole compound, preparation method, pharmaceutical composition and application thereof | 天津谷堆生物医药科技有限公司 | 2020-03-03 | — | — | CN | disclosed |