Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 5/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 5/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29679614 | 0.82 | TAAR1 (0.44) | GABRA1GABRB2LMNACYP1A2HPGD | |
| SCHEMBL15319327 | 0.82 | TAAR1 (0.44) | GABRA1GABRB2LMNACYP1A2HPGD | |
| SCHEMBL625240 | 0.82 | TAAR1 (0.44) | GABRA1GABRB2LMNACYP1A2HPGD | |
| SCHEMBL14997308 | 0.82 | TAAR1 (0.44) | GABRA1GABRB2LMNACYP1A2HPGD | |
| SCHEMBL28330984 | 0.81 | GABRA1 (0.39) | GABRA1GABRB2ALOX15ALOX12LMNA | |
| SCHEMBL9247390 | 0.78 | GABRA1 (0.55) | GABRA1GABRB2CA2EGFRLMNA | |
| SCHEMBL29876227 | 0.78 | HTR2A (0.40) | GABRA1GABRB2KMT2A | |
| SCHEMBL27033308 | 0.78 | HTR2A (0.40) | GABRA1GABRB2KMT2A | |
| SCHEMBL28161012 | 0.77 | CA2 (0.44) | GABRA1GABRB2CA2ACHEEGFR | |
| SCHEMBL18181801 | 0.77 | GABRA1 (0.53) | GABRA1GABRB2CA2LMNAFAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-2876108-B1 | COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF | SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) | 2020-09-30 | — | — | EP | disclosed |