Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Methyl Isobutyl Ketone SCHEMBL28142383 | 0.91 | TSHR (0.59) | ALDH1A1TDP1CES2TSHRCYP3A4 | |
| Methyl Isobutyl Ketone SCHEMBL28832473 | 0.89 | ALDH1A1 (0.55) | ALDH1A1TDP1CES2TSHRCYP3A4 | |
| Butoxyethanol SCHEMBL29173943 | 0.85 | TSHR (0.52) | ALDH1A1TDP1CES2TSHRCYP3A4 | |
| Methyl Isobutyl Ketone SCHEMBL2340589 | 0.84 | ALDH1A1 (0.74) | ALDH1A1TDP1CES2MEN1KMT2A | |
| Methyl Isobutyl Ketone SCHEMBL5000849 | 0.84 | ALDH1A1 (0.74) | ALDH1A1TDP1CES2MEN1KMT2A | |
| Acetic Acid Butyl Ester SCHEMBL2467140 | 0.84 | ALDH1A1 (0.69) | ALDH1A1TDP1CES2TSHRHSD17B10 | |
| Methyl Isobutyl Ketone SCHEMBL16531183 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TDP1CES2TSHRMAPT | |
| Dodecane SCHEMBL28230254 | 0.82 | ALDH1A1 (0.70) | ALDH1A1TDP1CES2TSHRMEN1 | |
| Methyl Isobutyl Ketone SCHEMBL4469718 | 0.82 | ALDH1A1 (0.70) | ALDH1A1TDP1CES2TSHRMEN1 | |
| Methyl Isobutyl Ketone SCHEMBL28046029 | 0.81 | CYP3A4 (0.61) | ALDH1A1TDP1TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1272630-A | Method for producing optical film on basis of cellulose triacetate containing triphenyl phosphate | AKZO NOBEL NV (NL) | 2000-11-08 | — | — | CN | disclosed |
| US-6127479-A | GRAFT COPOLYMER OBTAINED BY REACTING AN ACRYLIC COPOLYMER OF ACID NUMBER 35 TO 120 MG KOH/G, HYDROXY GROUP NUMBER 50-150 MG KOH/G, GLASS TRANSITION TEMPERATURE-20 TO +50 DEGREE C, WITH UNSATURATED GLYCIDYL MONOMER AND HYDROXY MONOMERS | BASF COATINGS AG (DE) | 2000-10-03 | — | — | US | disclosed |