Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | STS | P08842 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8447291 | 0.86 | CA1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3638406 | 0.85 | LMNA (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12260654 | 0.84 | SMN1; SMN2 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2888233 | 0.84 | CA1 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL571045 | 0.84 | CA12 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15942603 | 0.83 | CA1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1663287 | 0.82 | CA1 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL547515 | 0.82 | CA1 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8993035 | 0.81 | SMN1; SMN2 (0.59) | CA12CA1CA2CA7CA9 | |
| Benzene SCHEMBL27873122 | 0.81 | CA1 (0.76) | CA12CA1CA2CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1368295-B1 | PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-04-12 | — | — | EP | disclosed |
| EP-1368295-A1 | PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES | F. Hoffman-la Roche AG (CH) | 2003-12-10 | — | — | EP | disclosed |
| US-6531597-B2 | Reacting a halo substituted benzene with a ketone to form a hydroxyalkyl benzene that is carbonylated with a strong acid | HOFFMANN-LA ROCHE INC. | 2003-03-11 | — | — | US | disclosed |
| WO-2002079134-A1 | PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2002-10-10 | — | — | WO | disclosed |