Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512865 | 0.90 | SMPD1 (0.52) | — | |
| SCHEMBL9514125 | 0.88 | PLA2G2D (0.58) | ALDH1A1TSHR | |
| SCHEMBL9513056 | 0.88 | PLA2G2D (0.58) | ALDH1A1TSHR | |
| SCHEMBL9515491 | 0.88 | PLA2G2D (0.58) | ALDH1A1TSHR | |
| SCHEMBL9515443 | 0.87 | PLA2G2D (0.57) | ALDH1A1TSHR | |
| SCHEMBL9513108 | 0.87 | PLA2G2D (0.57) | ALDH1A1TSHR | |
| SCHEMBL9516447 | 0.87 | PLA2G2D (0.57) | ALDH1A1TSHR | |
| SCHEMBL9513101 | 0.85 | SMPD1 (0.47) | ALDH1A1TSHR | |
| SCHEMBL9516441 | 0.85 | SMPD1 (0.47) | ALDH1A1TSHR | |
| SCHEMBL9515434 | 0.85 | SMPD1 (0.47) | ALDH1A1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0308977-B1 | Anthracycline derivatives having inhibitory activity against reverse transcriptase of human immunodeficiency virus | ZAIDAN HOJIN BISEIBUTSU (JP) | 1993-12-08 | — | — | EP | disclosed |
| US-5003055-A | Anthracycline derivatives having inhibitory activity against reverse transcriptase of human immunodeficiency virus | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1991-03-26 | — | — | US | disclosed |
| EP-0308977-A2 | Anthracycline derivatives having inhibitory activity against reverse transcriptase of human immunodeficiency virus | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1989-03-29 | — | — | EP | disclosed |