Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLI1 | P08151 | 1/20 | 0.47 |
| ▸ | GLI2 | P10070 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 6/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12732823 | 0.95 | GLI1 (0.52) | GLI1GLI2CA4CA12CA2 | |
| SCHEMBL16382959 | 0.85 | DRD3 (0.42) | GLI1GLI2CA4CA12CA2 | |
| SCHEMBL16382948 | 0.82 | DRD2 (0.51) | CA4CA12CA2CA9CA1 | |
| SCHEMBL18752945 | 0.80 | DRD3 (0.41) | CA4CA12CA2CA9CA1 | |
| SCHEMBL16382951 | 0.79 | NPC1 (0.49) | MAPTALDH1A1SMN1; SMN2LMNACYP3A4 | |
| SCHEMBL12732831 | 0.79 | DRD3 (0.47) | CYP3A4HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12732814 | 0.75 | DRD2 (0.56) | CA4CA12CA2CA9CA1 | |
| SCHEMBL16382953 | 0.75 | ALB (0.47) | SMN1; SMN2LMNAHIF1ACYP1A2 | |
| SCHEMBL16386151 | 0.74 | MT-CO2 (0.43) | MAPTPTGS1PTGS2LMNACYP3A4 | |
| SCHEMBL22852423 | 0.73 | CA12 (0.61) | GLI1GLI2CA4CA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8926945-B2 | Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium | GUERBET (FR) | 2015-01-06 | — | — | US | disclosed |
| US-8926945-B2 | Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium | GUERBET (FR) | 2015-01-06 | — | — | US | disclosed |