Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2063312 | 0.77 | CES1 (0.42) | CES1L3MBTL1TDP1ALDH1A1KMT2A | |
| SCHEMBL26080880 | 0.72 | SRD5A2 (0.46) | CES1ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL314649 | 0.68 | CES1 (0.42) | CES1L3MBTL1TDP1ALDH1A1KMT2A | |
| Dihydrophenanthrene SCHEMBL29404495 | 0.68 | CES1 (0.68) | CES1L3MBTL1TDP1ALDH1A1KDM4E | |
| Dihydrophenanthrene SCHEMBL30297028 | 0.68 | CES1 (0.68) | CES1L3MBTL1TDP1ALDH1A1KDM4E | |
| Dihydrophenanthrene SCHEMBL155991 | 0.68 | CES1 (0.68) | CES1L3MBTL1TDP1ALDH1A1KDM4E | |
| SCHEMBL4826190 | 0.67 | L3MBTL1 (0.38) | CES1L3MBTL1TDP1ALDH1A1KMT2A | |
| SCHEMBL2063736 | 0.67 | CES1 (0.43) | CES1L3MBTL1TDP1ALDH1A1KMT2A | |
| SCHEMBL6615621 | 0.67 | CES1 (0.48) | CES1L3MBTL1TDP1MAPK1CYP2A6 | |
| SCHEMBL8309672 | 0.67 | ALDH1A1 (0.41) | CES1ALDH1A1KMT2AMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101374517-A | Use of 2-imidazoles for the treatment of CNS disorders | HOFFMANN LA ROCHE (CH) | 2009-02-25 | — | — | CN | disclosed |
| US-5128362-A | Antidepressant, antiglaucoma | ABBOTT LABORATORIES (US) | 1992-07-07 | — | — | US | disclosed |