Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.77 |
| ▸ | CES1 | P23141 | 1/20 | 0.77 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL17303445 | 0.92 | TSHR (0.77) | CES2CES1TSHRVCAM1MAPK1 | |
| Benzophenone SCHEMBL15819323 | 0.89 | CES2 (0.66) | CES2CES1TSHRVCAM1MAPK1 | |
| SCHEMBL2156287 | 0.87 | CES2 (1.00) | CES2CES1TSHRVCAM1MAPK1 | |
| SCHEMBL31454132 | 0.87 | CES2 (1.00) | CES2CES1TSHRVCAM1MAPK1 | |
| SCHEMBL5981573 | 0.87 | TSHR (0.71) | CES2CES1TSHRVCAM1MAPK1 | |
| SCHEMBL25962657 | 0.86 | TSHR (0.64) | CES2CES1TSHRVCAM1MAPK1 | |
| SCHEMBL11592046 | 0.86 | ALDH1A1 (0.65) | CES2CES1TSHRVCAM1MAPK1 | |
| SCHEMBL5216739 | 0.85 | CDC25B (0.71) | CES2CES1TSHRMAPK1ALDH1A1 | |
| SCHEMBL11014183 | 0.85 | MAPK1 (0.73) | CES2CES1VCAM1MAPK1ALDH1A1 | |
| Acetic Acid SCHEMBL27685581 | 0.84 | TSHR (0.67) | CES2CES1TSHRVCAM1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5856600-A | ADDING A CARBONYL COMPOUND TO A NATURAL RUBBER LATEX, AND THEN SUBJECTING THE RESULTING NATURAL RUBBER TO AIR OXIDATION, NARROW MOLECULAR WEIGHT DISTRIBUTION | SUMITOMO RUBBER INDUSTRIES, LTD (JP) | 1999-01-05 | — | — | US | disclosed |
| US-3976639-A | Intermediates for indoles | HOFFMANN-LA ROCHE INC. (US) | 1976-08-24 | — | — | US | disclosed |