Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KCNJ6 | P48051 | 5/20 | 0.43 |
| ▸ | KCNJ5 | P48544 | 5/20 | 0.43 |
| ▸ | KCNJ3 | P48549 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL16780330 | 0.85 | ALDH1A1 (0.59) | ALDH1A1LMNANTRK1GAAKCNJ6 | |
| SCHEMBL27954241 | 0.84 | FAAH (0.49) | ALDH1A1LMNANTRK1GAAKCNJ6 | |
| SCHEMBL27767837 | 0.84 | ALDH1A1 (0.58) | ALDH1A1LMNANTRK1GAAKCNJ6 | |
| SCHEMBL2837900 | 0.79 | GAA (0.67) | ALDH1A1LMNAGAAMEN1KMT2A | |
| SCHEMBL2839406 | 0.78 | GAA (0.60) | ALDH1A1LMNAGAAKCNJ6KCNJ5 | |
| SCHEMBL13858692 | 0.76 | FAAH (0.51) | ALDH1A1LMNANTRK1GAAKCNJ6 | |
| SCHEMBL2837826 | 0.75 | ALDH1A1 (0.57) | ALDH1A1LMNATSHRCA1CA2 | |
| SCHEMBL16804455 | 0.73 | MAPT (0.63) | ALDH1A1GAACA1CA2CA9 | |
| SCHEMBL17361370 | 0.73 | PTGS2 (0.49) | ALDH1A1LMNAGAACA1CA2 | |
| SCHEMBL27767901 | 0.73 | LMNA (0.46) | ALDH1A1LMNANTRK1KCNJ6KCNJ5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104903310-B | Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain | 阵列生物制药公司 | 2018-08-14 | — | — | CN | disclosed |
| CN-108329246-A | Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors | 阵列生物制药公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-105130967-B | Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors | 阵列生物制药公司 | 2018-04-17 | — | — | CN | disclosed |