Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CTSD | P07339 | 4/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9235504 | 1.00 | CA2 (0.55) | CA2CTSDPTPN1KLK5PSEN1 | |
| SCHEMBL7333388 | 0.92 | CA2 (0.64) | CA2CTSDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7333130 | 0.92 | CA2 (0.64) | CA2CTSDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7333674 | 0.92 | CA2 (0.64) | CA2CTSDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7310994 | 0.82 | CA2 (0.67) | CA2CTSDBACE1CYP1A2CYP3A4 | |
| SCHEMBL7439444 | 0.82 | PTPN1 (0.45) | CTSDPTPN1KLK5PSEN1PSEN2 | |
| SCHEMBL7331805 | 0.81 | CA2 (0.83) | CA2KLK5PSEN1PSEN2APH1B | |
| SCHEMBL7332653 | 0.81 | CA2 (0.83) | CA2KLK5PSEN1PSEN2APH1B | |
| SCHEMBL7340722 | 0.81 | CA2 (0.83) | CA2KLK5PSEN1PSEN2APH1B | |
| SCHEMBL7425008 | 0.80 | CA2 (0.59) | CA2KLK5PSEN1PSEN2APH1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991018866-A2 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-12-12 | — | — | WO | claimed |
| EP-0665215-A1 | 1,4-Diamino-2,3-dihydroxybutanes | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-08-02 | — | — | EP | disclosed |
| WO-1991018866-A2 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-12-12 | — | — | WO | disclosed |