Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | NNMT | P40261 | 3/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 3/20 | 0.37 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.35 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.35 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2855495 | 0.83 | KDM4E (0.55) | SMN1; SMN2KDM4EMAPK1CASP1NNMT | |
| SCHEMBL13870124 | 0.79 | ALDH1A1 (0.48) | SMN1; SMN2TDP1PARP10PARP4PARP2 | |
| SCHEMBL31557923 | 0.77 | PARP10 (0.56) | SMN1; SMN2TDP1MAPK1PARP10PARP4 | |
| SCHEMBL12569554 | 0.77 | CHEK1 (0.46) | SMN1; SMN2KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL27696847 | 0.76 | PARP10 (0.54) | PARP10PARP4PARP2KMT2AALDH1A1 | |
| SCHEMBL5550268 | 0.76 | SMN1; SMN2 (0.46) | SMN1; SMN2CA1KMT2AMEN1MAPT | |
| SCHEMBL1003845 | 0.74 | MEN1 (0.53) | SMN1; SMN2TDP1SIRT3KDM4EMAPK1 | |
| SCHEMBL30343857 | 0.73 | KDM4E (0.52) | SMN1; SMN2TDP1KDM4EALDH1A1 | |
| SCHEMBL328278 | 0.72 | CASP1 (0.50) | TDP1SIRT3KDM4EMAPK1CASP1 | |
| SCHEMBL4950195 | 0.72 | TDP1 (0.47) | SMN1; SMN2TDP1SIRT3KDM4EMAPK1 |
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-2004083177-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRYSTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |