Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TKT | P29401 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MDM4 | O15151 | 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 | |
|---|---|---|---|---|
| SCHEMBL21192492 | 0.89 | MEN1 (0.41) | SLC6A4ATMMEN1KMT2ACASP1 | |
| SCHEMBL3656732 | 0.82 | MPO (0.43) | MPOSLC6A4ATML3MBTL1MEN1 | |
| SCHEMBL126188 | 0.82 | CASP1 (0.42) | ATML3MBTL1MEN1KMT2ACASP1 | |
| SCHEMBL29377795 | 0.82 | CASP1 (0.42) | ATML3MBTL1MEN1KMT2ACASP1 | |
| SCHEMBL10894932 | 0.82 | CASP1 (0.42) | ATML3MBTL1MEN1KMT2ACASP1 | |
| Hydrochloric Acid SCHEMBL5240582 | 0.80 | CASP1 (0.41) | ATMMEN1KMT2ACASP1GAA | |
| Hydrochloric Acid SCHEMBL10893099 | 0.80 | CASP1 (0.41) | ATML3MBTL1MEN1KMT2ACASP1 | |
| SCHEMBL28022671 | 0.79 | RAD52 (0.35) | CASP1GAAMAPTTSHRMAPK1 | |
| SCHEMBL10890416 | 0.77 | CASP1 (0.46) | ATMMEN1KMT2ACASP1GAA | |
| SCHEMBL6751703 | 0.77 | ATM (0.41) | MPOSLC6A4ATML3MBTL1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3515898-A1 | METHOD FOR THE PREPARATION OF POLYAMINES FROM DINITRILES AND/OR AMINO NITRILES | BASF SE (DE) | 2019-07-31 | — | — | EP | disclosed |