Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.41 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1496824 | 0.87 | MAPK1 (0.55) | ALDH1A1MAPK1HIF1AJMJD6NPC1 | |
| SCHEMBL4378876 | 0.85 | MAPK1 (0.43) | ALDH1A1ADRB2ADRB1ADRB3MAPK1 | |
| SCHEMBL5972510 | 0.82 | ALDH1A1 (0.49) | ALDH1A1ADRB2ADRB1ADRB3MAPK1 | |
| SCHEMBL19219008 | 0.81 | ALDH1A1 (0.56) | ALDH1A1ADRB2ADRB1ADRB3MAPK1 | |
| SCHEMBL7945129 | 0.80 | ESR1 (0.58) | ALDH1A1ADRB2ADRB1ADRB3MAPK1 | |
| SCHEMBL9244575 | 0.80 | ADRB2 (0.49) | ALDH1A1ADRB2ADRB1ADRB3MAPK1 | |
| SCHEMBL19219012 | 0.80 | ALDH1A1 (0.54) | ALDH1A1ADRB2ADRB1ADRB3MAPK1 | |
| SCHEMBL19219007 | 0.80 | ALDH1A1 (0.62) | ALDH1A1ADRB2ADRB1ADRB3MAPK1 | |
| SCHEMBL9247387 | 0.79 | GAA (0.49) | ALDH1A1MAPK1HIF1AJMJD6NPC1 | |
| SCHEMBL21510512 | 0.79 | KMT2A (0.48) | ALDH1A1PARP10PARP3NPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003057896-A1 | METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE | ALBANY MOLECULAR RESEARCH, INC. (US) | 2003-07-17 | — | — | WO | claimed |
| WO-2003057687-A1 | METHODS FOR PREPARING DOXORUBICIN DERIVATIVES | ALBANY MOLECULAR RESEARCH, INC. (US) | 2003-07-17 | — | — | WO | claimed |
| WO-2006012277-A2 | BIOCATALYTIC PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED PRAMIPEXOLE | AMR TECHNOLOGY, INC. (US) | 2006-02-02 | — | — | WO | disclosed |
| WO-2003057687-A1 | METHODS FOR PREPARING DOXORUBICIN DERIVATIVES | ALBANY MOLECULAR RESEARCH, INC. (US) | 2003-07-17 | — | — | WO | disclosed |
| WO-2003057896-A1 | METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE | ALBANY MOLECULAR RESEARCH, INC. (US) | 2003-07-17 | — | — | WO | disclosed |