Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9386107 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL9390364 | 0.78 | HPGD (0.51) | ALDH1A1MAPTKDM4EHTTPOLB | |
| SCHEMBL9393805 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPTPKMKDM4EMEN1 | |
| SCHEMBL9391037 | 0.71 | ALDH1A1 (0.42) | ALDH1A1KDM4EHTTMEN1KMT2A | |
| SCHEMBL3545662 | 0.71 | RECQL (0.48) | ALDH1A1MAPTKDM4EPOLBMEN1 | |
| SCHEMBL6348692 | 0.68 | BRAF (0.72) | ALDH1A1MAPTPKMKDM4EHTT | |
| SCHEMBL9385820 | 0.68 | KDM4E (0.38) | ALDH1A1MAPTKDM4EHTTPOLB | |
| SCHEMBL17786243 | 0.68 | ALDH1A1 (0.69) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL22093132 | 0.67 | MAT2A (0.57) | HCAR1ALDH1A1KDM4EHTTMEN1 | |
| SCHEMBL31145399 | 0.67 | MAT2A (0.57) | HCAR1ALDH1A1KDM4EHTTMEN1 |
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-1994000452-A1 | 7-NEOPENTYL XANTHINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) | 1994-01-06 | — | — | WO | disclosed |