Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.65 |
| ▸ | XDH | P47989 | 1/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | ODC1 | P11926 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | HIF1AN | Q9NWT6 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 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 | |
|---|---|---|---|---|
| Chromene SCHEMBL29999350 | 1.00 | PTPN1 (0.65) | PTPN1XDHALOX5KDM4EODC1 | |
| Chromene SCHEMBL29644881 | 1.00 | PTPN1 (0.65) | PTPN1XDHALOX5KDM4EODC1 | |
| SCHEMBL29644900 | 0.83 | PTPN1 (0.59) | PTPN1XDHKDM4EALDH1A1HDAC3 | |
| SCHEMBL29644890 | 0.83 | PTPN1 (0.59) | PTPN1XDHKDM4EALDH1A1HDAC3 | |
| SCHEMBL5487514 | 0.81 | PTPN1 (0.49) | PTPN1XDHKDM4EODC1ACHE | |
| SCHEMBL5599680 | 0.81 | PTPN1 (0.63) | PTPN1XDHODC1ACHEBACE1 | |
| SCHEMBL5487516 | 0.81 | PTPN1 (0.49) | PTPN1XDHKDM4EODC1ACHE | |
| SCHEMBL30871946 | 0.80 | PTPN1 (0.55) | PTPN1XDHALOX5KDM4EODC1 | |
| SCHEMBL29216366 | 0.80 | PTPN1 (0.55) | PTPN1XDHALOX5KDM4EODC1 | |
| SCHEMBL30383083 | 0.80 | PTPN1 (1.00) | PTPN1XDHODC1ACHEBACE1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116375685-B | Fasudil derivative and preparation method and application thereof | 沈阳药科大学 | 2023-12-12 | — | — | CN | disclosed |
| CN-116375685-A | Fasudil derivative and preparation method and application thereof | 沈阳药科大学 | 2023-07-04 | — | — | CN | disclosed |
| EP-1575689-A2 | TYPING NATURAL PRODUCTS | Marcucci Ribeiro, Maria Cristina (BR) | 2005-09-21 | — | — | EP | disclosed |
| WO-2002051516-A2 | TYPING NATURAL PRODUCTS | MARCUCCI RIBEIRO MARIA CRISTIN (BR) | 2002-07-04 | — | — | WO | disclosed |