Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HTR5A | P47898 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5785664 | 0.82 | ACHE (0.46) | ACHEBCHEHTR1AHTR2CHTR7 | |
| SCHEMBL7371460 | 0.78 | PTGS2 (0.47) | PTGS2KMT2ACYP3A4MEN1HTR2C | |
| SCHEMBL8026308 | 0.77 | PTGS2 (0.55) | PTGS2AOC3KMT2ACYP3A4CYP2D6 | |
| SCHEMBL17475567 | 0.76 | MAPT (0.56) | ACHEKMT2AMEN1HTR1AHTR2C | |
| SCHEMBL7376461 | 0.76 | HTR2A (0.49) | PTGS2AOC3KMT2AHTR2CHTR2B | |
| SCHEMBL17481521 | 0.71 | MAPT (0.46) | ACHEKMT2AMEN1HTR1AHTR2C | |
| SCHEMBL29954667 | 0.70 | ACHE (0.47) | ACHEKMT2ABCHEMEN1HTR1A | |
| SCHEMBL29951295 | 0.70 | ACHE (0.47) | ACHEKMT2ABCHEMEN1HTR1A | |
| SCHEMBL12933661 | 0.69 | PTGS2 (0.59) | ACHEPTGS2AOC3HTR2CHTR2B | |
| SCHEMBL11648164 | 0.69 | TAAR1 (0.57) | ACHEKMT2ACYP3A4MEN1DRD3 |
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-1049662-A1 | INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION | TANABE SEIYAKU CO., LTD. (JP) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999036393-A1 | INHIBITORS OF α4 MEDIATED CELL ADHESION | TANABE SEIYAKU CO., LTD. (JP) | 1999-07-22 | — | — | WO | disclosed |