Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LTA4H | P09960 | 6/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | TOP2A | P11388 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5718400 | 0.99 | ALDH1A1 (0.52) | ALDH1A1LTA4HNAMPTMEN1HPGD | |
| SCHEMBL31538721 | 0.86 | L3MBTL1 (0.48) | ALDH1A1MEN1HPGDKMT2AEPHX2 | |
| SCHEMBL27521974 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MEN1HPGDKMT2ACYP3A4 | |
| SCHEMBL25453574 | 0.82 | EPHX2 (0.51) | ALDH1A1LTA4HMEN1HPGDKMT2A | |
| SCHEMBL1912567 | 0.82 | PPID (0.52) | ALDH1A1LTA4HHPGD | |
| SCHEMBL2261454 | 0.82 | ALDH1A1 (0.46) | ALDH1A1HPGDKMT2A | |
| SCHEMBL2261458 | 0.82 | ALDH1A1 (0.46) | ALDH1A1HPGDKMT2A | |
| SCHEMBL28016562 | 0.81 | ALDH1A1 (0.58) | ALDH1A1LTA4HKMT2ACYP3A4ALOX5 | |
| SCHEMBL11796548 | 0.81 | SIGMAR1 (0.57) | ALDH1A1LTA4HCYP2D6CYP2C19 | |
| SCHEMBL7438634 | 0.81 | HTT (0.49) | ALDH1A1LTA4HMEN1HPGDKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5091427-A | PIPERAZINEDIONES HAVING A PSYCHOTROPIC ACTION | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-02-25 | — | — | US | disclosed |
| EP-0362555-A1 | Piperazinediones having psycotropic activity | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-04-11 | — | — | EP | disclosed |