Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.62 |
| ▸ | TSHR | P16473 | 7/20 | 0.55 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.33 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acrylic Acid SCHEMBL10543499 | 0.85 | ALDH1A1 (0.59) | ALDH1A1TDP1TSHRFFAR3TP53 | |
| Butanone SCHEMBL28437516 | 0.84 | — | — | |
| Butanone SCHEMBL8207534 | 0.84 | — | — | |
| SCHEMBL5145577 | 0.83 | — | — | |
| SCHEMBL14964 | 0.83 | — | — | |
| Acrylamide SCHEMBL11529233 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TDP1TSHRFFAR3TP53 | |
| Acrylamide SCHEMBL28200115 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TDP1TSHRFFAR3TP53 | |
| Propionamide SCHEMBL4543816 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TDP1TSHRFFAR3TP53 | |
| Butanone SCHEMBL9281749 | 0.81 | — | — | |
| SCHEMBL9410827 | 0.80 | ALDH1A1 (0.79) | ALDH1A1TDP1TSHRFFAR3TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0723981-B1 | Process for manufacturing isoprene containing block copolymers | SHELL INT RESEARCH (NL) | 1998-12-09 | — | — | EP | disclosed |
| US-5736612-A | ANIONIC BLOCK POLYMERIZATION VIA A LIVING POLYMER INITIATED WITH A MONOFUNCTIONAL ORGANOLITHIUM TO FORM A POLYSTYRENE SEGMENT, ADDING PRETREATED ISOPRENE CONCENTRATE TO FORM A POLYISOPRENE SEGMENT AND A COUPLING OR TERMINATING AGENT | SHELL OIL COMPANY (US) | 1998-04-07 | — | — | US | disclosed |
| EP-0723981-A1 | Process for manufacturing isoprene containing block copolymers | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1996-07-31 | — | — | EP | disclosed |