Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.35 |
| ▸ | CDK4 | P11802 | 2/20 | 0.34 |
| ▸ | CCND1 | P24385 | 2/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 8/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 8/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29463574 | 0.81 | ALDH1A1 (0.40) | HPGDNPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL28926422 | 0.69 | MAOA (0.49) | PARP1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28926420 | 0.69 | MAOA (0.49) | PARP1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL30802588 | 0.69 | MAOA (0.49) | PARP1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL30802592 | 0.67 | ACE (0.43) | PARP1PARP2HPGDMEN1NPC1 | |
| SCHEMBL29973114 | 0.67 | ACE (0.43) | PARP1PARP2HPGDMEN1NPC1 | |
| SCHEMBL23250751 | 0.66 | KCNH2 (0.40) | MEN1KMT2AALDH1A1MAPTKDM4E | |
| SCHEMBL23258879 | 0.66 | KCNH2 (0.40) | MEN1KMT2AALDH1A1MAPTKDM4E | |
| SCHEMBL29973037 | 0.64 | ADCY1 (0.47) | HPGDNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28926371 | 0.64 | GABRP (0.45) | RAB9AMAPT |
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-2022036040-A1 | SYNTHESIS OF SMALL MOLECULES INSPIRED BY PHOMOXANTHONE A | WORCESTER POLYTECHNIC INSTITUTE (US) | 2022-02-17 | — | — | WO | disclosed |