Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL18508439 | 0.88 | MEN1 (0.56) | LMNATXNRD1MAPTMEN1KMT2A | |
| SCHEMBL18508350 | 0.87 | TXNRD1 (0.51) | LMNAALDH1A1TXNRD1MAPTMEN1 | |
| SCHEMBL18508408 | 0.85 | MERTK (0.43) | IDO1ALDH1A1TXNRD1MAPTMEN1 | |
| SCHEMBL18508375 | 0.80 | MEN1 (0.49) | IDO1LMNAALDH1A1MAPTMEN1 | |
| SCHEMBL18497229 | 0.78 | TXNRD1 (0.52) | IDO1LMNAALDH1A1TXNRD1MAPT | |
| SCHEMBL22205280 | 0.75 | TXNRD1 (0.55) | LMNAALDH1A1TXNRD1MAPTMEN1 | |
| SCHEMBL2066899 | 0.74 | TXNRD1 (0.51) | LMNAALDH1A1TXNRD1MAPTMEN1 | |
| SCHEMBL18508426 | 0.72 | MEN1 (0.74) | IDO1LMNAALDH1A1MAPTMEN1 | |
| SCHEMBL18508406 | 0.72 | TXNRD1 (0.62) | ALDH1A1TXNRD1MAPTMEN1KMT2A | |
| SCHEMBL22264083 | 0.70 | MEN1 (0.58) | LMNAALDH1A1TXNRD1MAPTMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017027359-A1 | PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER | THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2017-02-16 | — | — | WO | disclosed |