Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9937397 | 0.85 | HTT (0.35) | HTTCES2TDP1TSHRNPC1 | |
| SCHEMBL8862969 | 0.83 | TDP1 (0.34) | TDP1TSHR | |
| SCHEMBL9937439 | 0.82 | HTT (0.46) | HTTTSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7647166 | 0.81 | TDP1 (0.33) | TDP1TSHRABCB11CYP3A4ADRA2B | |
| SCHEMBL9275566 | 0.80 | TSHR (0.41) | TDP1TSHRSMN1; SMN2ABCB11CYP3A4 | |
| SCHEMBL9937614 | 0.80 | HTT (0.48) | HTTTSHR | |
| SCHEMBL24823460 | 0.79 | CES2 (0.34) | HTTCES2CYP3A4 | |
| SCHEMBL9937287 | 0.78 | HTT (0.35) | HTTCES2TSHR | |
| SCHEMBL4859406 | 0.76 | GAA (0.39) | HTTCES2TDP1TSHRNPC1 | |
| SCHEMBL2963385 | 0.76 | GAA (0.46) | TDP1TSHRCYP3A4 |
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 4 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 |