Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.70 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 8/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MLYCD | O95822 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18661938 | 0.86 | HPGD (0.68) | HSP90AA1HSP90AB1CYP1A2BLMHPGD | |
| SCHEMBL471665 | 0.85 | HPGD (0.72) | HSP90AA1HSP90AB1CYP1A2BLMHPGD | |
| SCHEMBL11516514 | 0.84 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1CYP1A2BLMHPGD | |
| SCHEMBL487658 | 0.82 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1CYP1A2BLMHPGD | |
| SCHEMBL14426602 | 0.81 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1CYP1A2BLMHPGD | |
| SCHEMBL9299563 | 0.81 | HPGD (0.76) | HSP90AA1HSP90AB1CYP1A2BLMHPGD | |
| SCHEMBL11827099 | 0.81 | HSP90AA1 (0.68) | HSP90AA1HSP90AB1CYP1A2BLMHPGD | |
| SCHEMBL487099 | 0.81 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1CYP1A2BLMHPGD | |
| SCHEMBL11699200 | 0.81 | HPGD (0.66) | HSP90AA1HSP90AB1CYP1A2BLMHPGD | |
| SCHEMBL10242017 | 0.79 | ERN1 (0.50) | HSP90AA1HSP90AB1HPGDTDP1SMN1; SMN2 |
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-8716191-B2 | Method of preparing an adduct | UNIVERSITE DE STRASBOURG (FR) | 2014-05-06 | — | — | US | disclosed |
| US-20120115751-A1 | METHOD OF PREPARING AN ADDUCT | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-05-10 | — | — | US | disclosed |