Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGFBP3 | P17936 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8081834 | 0.78 | POLB (0.55) | IGFBP3CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL15931832 | 0.70 | IGFBP3 (0.58) | IGFBP3CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL11459812 | 0.70 | ALDH1A1 (0.67) | IGFBP3CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13851903 | 0.69 | L3MBTL1 (0.55) | IGFBP3CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL1445583 | 0.69 | ALDH1A1 (0.49) | IGFBP3CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13494105 | 0.68 | SMN1; SMN2 (0.53) | IGFBP3CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL109195 | 0.68 | TAAR1 (0.64) | CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL50429 | 0.68 | TSHR (0.53) | CYP3A4ALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL108109 | 0.67 | TAAR1 (0.62) | CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3944098 | 0.66 | CYP3A4 (0.75) | CYP3A4ALDH1A1CYP1A2CYP2C19MAPK1 |
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-0851771-A2 | N2S2-TYPE BI-FUNCTIONAL NICOTINAMIDE CHELATING AGENTS FOR RADIOACTIVE ISOTOPES | INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) | 1998-07-08 | — | — | EP | disclosed |
| WO-1997010853-A2 | N2S2-TYPE BI-FUNCTIONAL NICOTINAMIDE CHELATING AGENTS FOR RADIOACTIVE ISOTOPES | Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) | 1997-03-27 | — | — | WO | disclosed |