Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27735171 | 1.00 | CA2 (0.47) | CA2ESR1ALOX15TDP1CYP3A4 | |
| SCHEMBL284828 | 0.83 | KMT2A (0.46) | CA2ALOX15TDP1CYP3A4LMNA | |
| SCHEMBL3554163 | 0.83 | KMT2A (0.46) | CA2ALOX15TDP1CYP3A4LMNA | |
| SCHEMBL2765505 | 0.83 | KMT2A (0.46) | CA2ALOX15TDP1CYP3A4LMNA | |
| SCHEMBL14785618 | 0.82 | CYP2C9 (0.50) | CYP3A4LMNACYP1A2ADORA3CYP2D6 | |
| Bicarbonate SCHEMBL15743197 | 0.82 | KMT2A (0.45) | CA2ALOX15TDP1CYP3A4LMNA | |
| SCHEMBL5360485 | 0.82 | DPP9 (0.43) | ANPEP | |
| SCHEMBL19810879 | 0.82 | CYP2C9 (0.50) | CYP3A4LMNACYP1A2ADORA3CYP2D6 | |
| SCHEMBL390453 | 0.82 | CYP2C9 (0.50) | CYP3A4LMNACYP1A2ADORA3CYP2D6 | |
| SCHEMBL1231305 | 0.81 | CYP2C19 (0.53) | LMNACYP1A2ADORA3CYP2D6CYP2C19 |
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-5939279-A | BLOCKING ATTACHMENT OF BACTERIA TO INTESTINAL EPITHELIAL BRUSH BORDER CELLS BY CONTACTING CELLS WITH OLIGOSACCHARIDE WITH MORE THAN 6 MANNOSE RESIDUES; PROPHYLAXIS AGAINST ENTEROBACTER CLOACAE | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) | 1999-08-17 | — | — | US | disclosed |