Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1154549 | 0.89 | MCL1 (0.47) | MCL1LMNAMAPTTDP1HTT | |
| SCHEMBL1154287 | 0.88 | MCL1 (0.55) | MCL1LMNAMAPTTDP1HTT | |
| SCHEMBL23704662 | 0.83 | MCL1 (0.50) | MCL1LMNAMAPTTDP1HTT | |
| SCHEMBL23712420 | 0.82 | MCL1 (0.50) | MCL1LMNAMAPTTDP1HTT | |
| SCHEMBL12301126 | 0.81 | MCL1 (0.61) | MCL1LMNAMAPTTDP1HTT | |
| SCHEMBL23712340 | 0.77 | MCL1 (0.43) | MCL1LMNAMAPTTDP1HTT | |
| SCHEMBL30331042 | 0.77 | MCL1 (0.56) | MCL1LMNAMAPTTDP1HTT | |
| SCHEMBL1155300 | 0.77 | ALDH1A1 (0.47) | MCL1LMNAMAPTHTTPKM | |
| SCHEMBL1155095 | 0.77 | MCL1 (0.43) | MCL1LMNAMAPTTDP1HTT | |
| SCHEMBL1154503 | 0.77 | HSD11B1 (0.50) | MCL1LMNAMAPTHTTTP53 |
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-2021155185-A1 | AMINOPYRIMIDINYLAMINOBENZONITRILE DERIVATIVES AS NEK2 INHIBITORS | SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) | 2021-08-05 | — | — | WO | disclosed |