Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6472016 | 0.87 | RXRA (0.43) | CYP3A4TRPA1MAPK1TDP1ALDH1A1 | |
| SCHEMBL1569276 | 0.80 | DRD1 (0.46) | MAPK1TDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL29541540 | 0.78 | HTR3E (0.53) | CYP3A4MAPK1TDP1HTR3EHTR3B | |
| SCHEMBL23447 | 0.78 | HTR3E (0.53) | CYP3A4MAPK1TDP1HTR3EHTR3B | |
| SCHEMBL11533412 | 0.77 | MAPK1 (0.40) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL29808710 | 0.77 | TDP1 (0.44) | CYP3A4TRPA1MAPK1TDP1HTR3E | |
| SCHEMBL5104173 | 0.77 | TDP1 (0.44) | CYP3A4TRPA1MAPK1TDP1HTR3E | |
| SCHEMBL17911612 | 0.76 | MTNR1A (0.40) | TAAR1ALDH1A1RXRARXRBMEN1 | |
| SCHEMBL633675 | 0.76 | MAPK1 (0.36) | CYP3A4TRPA1MAPK1TDP1HTR3E | |
| SCHEMBL7133728 | 0.75 | CYP3A4 (0.44) | CYP3A4TRPA1MAPK1TDP1HTR3E |
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-2005042495-A1 | (BENZIMIDAZOL-2-YL)-PHENYL-PHENYL-UREA COMPOUNDS AND METHODS FOR INHIBITING HEPARANASE ACTIVITY | IMCLONE SYSTEMS INCORPORATED (US) | 2005-05-12 | — | — | WO | disclosed |