Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1100523 | 0.75 | GAA (0.38) | ALDH1A1SOAT1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7052178 | 0.67 | GAA (0.42) | ALDH1A1LMNAMAPTHSD17B10GAA | |
| SCHEMBL2189617 | 0.64 | CHRM1 (0.40) | ALDH1A1SOAT1LMNAMAPTGAA | |
| SCHEMBL10389784 | 0.64 | NFKB1 (0.33) | ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL8681188 | 0.64 | ALDH1A1 (0.50) | ALDH1A1SOAT1LMNARAB9AMAPT | |
| SCHEMBL8683134 | 0.64 | ALDH1A1 (0.50) | ALDH1A1SOAT1LMNARAB9AMAPT | |
| SCHEMBL8320339 | 0.64 | ALDH1A1 (0.41) | ALDH1A1MAPTKMT2AGAAALOX15 | |
| SCHEMBL5359043 | 0.64 | ALDH1A1 (0.44) | ALDH1A1SOAT1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3673 | 0.64 | — | — | |
| SCHEMBL1332089 | 0.64 | — | — |
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-2002036548-A2 | METHOD FOR STEREOSELECTIVELY PRODUCING HYDRAZINO CYCLOALKENES AND DIAMINO CYCLOALKANES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-10 | — | — | WO | disclosed |