Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA4 | P22748 | 3/20 | 0.34 |
| ▸ | CA6 | P23280 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | BPTF | Q12830 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9348493 | 0.83 | CA1 (0.38) | CYP3A4MAPTPTGS2ACHECA1 | |
| SCHEMBL9348570 | 0.80 | CYP3A4 (0.37) | CYP3A4MAPTPTGS2ACHECA9 | |
| SCHEMBL9349736 | 0.80 | CYP3A4 (0.37) | CYP3A4MAPTPTGS2ACHECA9 | |
| SCHEMBL9348656 | 0.78 | TSHR (0.44) | MAPTTSHRLMNA | |
| SCHEMBL9348362 | 0.77 | CYP3A4 (0.33) | CYP3A4CA1CA2CA9CYP1A2 | |
| SCHEMBL9348386 | 0.74 | ALDH1A1 (0.41) | CYP3A4MAPTPTGS2CYP2D6TSHR | |
| SCHEMBL9348625 | 0.69 | ACHE (0.48) | CYP3A4MAPTPTGS2ACHECA9 | |
| SCHEMBL9349868 | 0.68 | CRHR1 (0.35) | CYP3A4PTGS2CA1CA2CA9 | |
| SCHEMBL9578957 | 0.67 | CYP3A4 (0.37) | CYP3A4MAPTPTGS2ACHECA1 | |
| SCHEMBL9352530 | 0.66 | ACHE (0.50) | CYP3A4MAPTPTGS2ACHECA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5296602-A | Condensing substituted ortho-halo- or ortho-aminobenzoic acid with meta-halo- or meta-aminoanisole, cyclizing, N-alkylating, de-O-methylating | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1994-03-22 | — | — | US | disclosed |