Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.35 |
| ▸ | CBFB | Q13951 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1106684 | 0.66 | IDO1 (0.58) | ALDH1A1HSP90AB1DAOMEN1KMT2A | |
| SCHEMBL11030905 | 0.66 | DAO (0.38) | ALDH1A1HSP90AB1DAOLMNATAAR1 | |
| SCHEMBL3028807 | 0.65 | ALDH1A1 (0.74) | ALDH1A1HSP90AB1MEN1KMT2ATAAR1 | |
| SCHEMBL12495806 | 0.64 | SMN1; SMN2 (0.63) | ALDH1A1HSP90AB1MEN1KMT2ALMNA | |
| SCHEMBL28508834 | 0.63 | DAO (0.39) | ALDH1A1HSP90AB1DAOMEN1KMT2A | |
| SCHEMBL11564618 | 0.62 | HSP90AB1 (0.50) | ALDH1A1HSP90AB1TAAR1MAPTPOLB | |
| SCHEMBL8683710 | 0.61 | IDO1 (0.46) | ALDH1A1HSP90AB1DAOMEN1KMT2A | |
| SCHEMBL21384214 | 0.60 | LTA4H (0.47) | ALDH1A1HSP90AB1MEN1KMT2ATAAR1 | |
| SCHEMBL21223703 | 0.59 | MPO (0.49) | ALDH1A1HSP90AB1MEN1KMT2AMAPT | |
| SCHEMBL1981719 | 0.59 | HTT (0.59) | ALDH1A1LMNAMAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4061653-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-12-06 | — | — | US | disclosed |