Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | RRM1 | P23921 | 1/20 | 0.30 |
| ▸ | RRM2B | Q7LG56 | 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 | |
|---|---|---|---|---|
| SCHEMBL14114762 | 0.81 | PKM (0.41) | ALDH1A1 | |
| SCHEMBL8412812 | 0.79 | ACHE (0.38) | ALDH1A1CHRM2CHRM1RRM1RRM2B | |
| SCHEMBL8409413 | 0.77 | — | — | |
| SCHEMBL8735095 | 0.74 | — | — | |
| SCHEMBL8732284 | 0.73 | KDM4E (0.30) | ALDH1A1 | |
| SCHEMBL8734764 | 0.72 | — | — | |
| SCHEMBL8412954 | 0.71 | PKM (0.34) | ALDH1A1 | |
| SCHEMBL8734946 | 0.71 | — | — | |
| SCHEMBL8854460 | 0.70 | — | — | |
| SCHEMBL8854659 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1339432-A | Extracting method for substituted phenyl compounds | ROHM & HAAS (US) | 2002-03-13 | — | — | CN | disclosed |
| CN-1070175-C | Process for the preparation of 2, 6-disubstituted benzenesulfonates or 2, 6-disubstituted benzenesulfonates further substituted in the 3-, 4-or 5-position | ROHM & HAAS (US) | 2001-08-29 | — | — | CN | disclosed |
| EP-0708087-B1 | Method for making a substituted benzene compound | ROHM & HAAS (US) | 1999-07-28 | — | — | EP | disclosed |
| CN-1174189-A | Process for preparing substituted benzene compounds | ROHM & HAAS (US) | 1998-02-25 | — | — | CN | disclosed |
| US-5670691-A | REACTION OF 2-SUBSTITUTED BENZENESULFONATE WITH LITHIUM COMPOUND THEN REACTION WITH ELECTROPHILE TO FORM 2,6-DISUBSTITUTED BENZENESULFONATE | ROHM AND HAAS COMPANY (US) | 1997-09-23 | — | — | US | disclosed |
| EP-0708087-A1 | Method for making a substituted benzene compound | ROHM AND HAAS COMPANY (US) | 1996-04-24 | — | — | EP | disclosed |