Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5834481 | 0.95 | ALDH1A1 (0.62) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL5834914 | 0.95 | ALDH1A1 (0.71) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL4938474 | 0.95 | ALDH1A1 (0.71) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL2580214 | 0.92 | TDP1 (0.66) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL16016782 | 0.90 | ALDH1A1 (0.63) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL12114076 | 0.88 | ALDH1A1 (0.69) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL17158210 | 0.88 | ALDH1A1 (0.59) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL20830629 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL1316640 | 0.85 | ALDH1A1 (0.56) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL2588443 | 0.84 | ALDH1A1 (0.72) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 |
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-20080004387-A1 | Alkyl benzyl esters of polycarboxylic acids | LANXESS DEUTSCHLAND GMBH (DE) | 2008-01-03 | — | — | US | disclosed |