Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20015922 | 0.85 | SMPD3 (0.39) | SMPD3NTRK1PDE2ATYK2 | |
| SCHEMBL23788051 | 0.82 | SMPD3 (0.41) | SMPD3NTRK1HCAR3TGFBR1JAK2 | |
| SCHEMBL19237242 | 0.82 | SMPD3 (0.48) | SMPD3ESR1ESR2KDM4ECNR1 | |
| SCHEMBL18208833 | 0.82 | SMPD3 (0.62) | SMPD3NTRK1TGFBR1JAK2CSNK2A2 | |
| SCHEMBL25972081 | 0.80 | HCAR3 (0.42) | SMPD3NTRK1HCAR3TGFBR1CSNK2A2 | |
| SCHEMBL21997257 | 0.79 | NTRK1 (0.46) | SMPD3NTRK1HCAR3TGFBR1JAK2 | |
| SCHEMBL19614117 | 0.76 | NTRK1 (0.44) | SMPD3NTRK1TGFBR1JAK2CSNK2A2 | |
| SCHEMBL21997192 | 0.75 | SMPD3 (0.43) | SMPD3NTRK1TGFBR1JAK2KDM4E | |
| SCHEMBL359281 | 0.74 | TYK2 (0.53) | TGFBR1JAK2PDE2AKDM4EALDH1A1 | |
| SCHEMBL19237433 | 0.74 | NTRK1 (0.40) | NTRK1JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3744723-A1 | SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND | Shenzhen Targetrx, Inc. (CN) | 2020-12-02 | — | — | EP | disclosed |
| EP-3205654-A1 | MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS | Array Biopharma, Inc. (US) | 2017-08-16 | — | — | EP | disclosed |