Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 3/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29289501 | 0.90 | TGFBR1 (0.40) | NTRK1DYRK1ATGFBR1TTKALDH1A1 | |
| SCHEMBL21229436 | 0.78 | SMPD3 (0.55) | NTRK1 | |
| SCHEMBL16946723 | 0.76 | NTRK1 (0.50) | NTRK1TGFBR1 | |
| SCHEMBL21286710 | 0.76 | TGFBR1 (0.32) | NTRK1TGFBR1 | |
| SCHEMBL18352547 | 0.75 | NTRK1 (0.51) | NTRK1 | |
| SCHEMBL21229249 | 0.75 | PCSK9 (0.45) | NTRK1 | |
| SCHEMBL28109725 | 0.74 | CASP6 (0.40) | ESR1ESR2KDM4EMEN1ALDH1A1 | |
| SCHEMBL29088980 | 0.74 | NTRK1 (0.42) | NTRK1ALDH1A1MAPT | |
| SCHEMBL16935985 | 0.73 | NTRK1 (0.36) | NTRK1POLBTDP1L3MBTL1 | |
| SCHEMBL18352529 | 0.73 | NTRK1 (0.36) | NTRK1POLBL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019149131-A1 | COMPOUND HAVING MACROCYCLIC MOLECULAR STRUCTURE AND USE THEREOF | 上海吉倍生物技术有限公司 | 2019-08-08 | — | — | WO | disclosed |