Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4731778 | 0.85 | GAA (0.46) | ALDH1A1POLBKMT2ARAB9ALMNA | |
| SCHEMBL4733445 | 0.83 | RAB9A (0.40) | ALDH1A1KMT2ARAB9ASMN1; SMN2CNR2 | |
| SCHEMBL4729966 | 0.76 | CNR2 (0.41) | ALDH1A1HTTKMT2ATSHRNPC1 | |
| SCHEMBL4729959 | 0.71 | CNR2 (0.51) | RAB9ACNR2TYK2ABL1 | |
| SCHEMBL14206664 | 0.69 | CNR2 (0.58) | ALDH1A1POLBKMT2ATSHRCNR2 | |
| SCHEMBL4729137 | 0.66 | CNR2 (0.80) | CNR2 | |
| SCHEMBL14207395 | 0.65 | CNR2 (0.60) | ALDH1A1NPC1RAB9ACNR2JAK1 | |
| SCHEMBL4730027 | 0.62 | CNR2 (0.42) | ALDH1A1KMT2ARAB9ASMN1; SMN2CNR2 | |
| SCHEMBL4731997 | 0.62 | CNR2 (0.52) | ALDH1A1CNR2TDP1 | |
| SCHEMBL4783553 | 0.62 | CNR2 (0.53) | ALDH1A1HTTKMT2ATSHRNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008063625-A2 | PYRIDINE COMPOUNDS AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2008-05-29 | — | — | WO | claimed |
| WO-2008063625-A2 | PYRIDINE COMPOUNDS AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2008-05-29 | — | — | WO | disclosed |