Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | SCN1A | P35498 | 2/20 | 0.56 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.56 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8873883 | 0.91 | ALDH1A1 (0.59) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL29198629 | 0.89 | ALDH1A1 (0.58) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL9178840 | 0.88 | ALDH1A1 (0.56) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL31354687 | 0.87 | TDP1 (0.62) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL6394227 | 0.87 | TDP1 (0.62) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL50441 | 0.85 | ALDH1A1 (0.89) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL29388715 | 0.85 | ALDH1A1 (0.89) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL25431505 | 0.85 | ALDH1A1 (0.56) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL28451291 | 0.85 | ALDH1A1 (0.56) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL7713124 | 0.84 | MRGPRX4 (0.53) | ALDH1A1TDP1POLB |
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-6491795-B2 | DISTILLING RESIDUE REMAINING AFTER REMOVAL OF UNREACTED TOLUENE AND BENZOIC ACID FROM REACTION MIXTURE PRODUCED BY OXIDATION OF TOLUENE BY MOLECULAR OXYGEN IN THE PRESENCE OF A METAL CATALYST | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 2002-12-10 | — | — | US | claimed |