Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA6 | P23280 | 5/20 | 0.42 |
| ▸ | CA7 | P43166 | 5/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA4 | P22748 | 4/20 | 0.40 |
| ▸ | CA5A | P35218 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CA3 | P07451 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4111284 | 1.00 | CYP2C19 (0.50) | CYP2C19CYP2C9CA12CA6CA7 | |
| SCHEMBL16403673 | 0.82 | ALDH1A1 (0.37) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3920006 | 0.79 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL12212012 | 0.74 | OPRM1 (0.36) | MEN1KMT2AALDH1A1TSHR | |
| Isopropylamine SCHEMBL27588232 | 0.74 | CA12 (0.67) | CYP2C19CYP2C9CA12CA6CA7 | |
| SCHEMBL4745111 | 0.72 | CYP2C19 (0.47) | CYP2C19CYP2C9CA12CA6CA7 | |
| SCHEMBL4124680 | 0.71 | CYP2C19 (0.56) | CYP2C19CYP2C9CA12CA6CA7 | |
| SCHEMBL8766711 | 0.71 | CYP2C19 (0.50) | CYP2C19CYP2C9CA12CA6CA7 | |
| SCHEMBL4917625 | 0.71 | CYP2C9 (0.36) | CYP2C19CYP2C9CA12CA6CA7 | |
| SCHEMBL4745079 | 0.71 | CYP2C9 (0.45) | CYP2C19CYP2C9CA12CA6CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996017880-A1 | NOVEL POLYURETHANE TOUGHENER, THERMOSETTING RESIN COMPOSITIONS AND ADHESIVES | THE DEXTER CORPORATION (US) | 1996-06-13 | — | — | WO | disclosed |