Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6829979 | 0.94 | ZDHHC7 (0.42) | CA2CA1ATMZDHHC7CPB2 | |
| SCHEMBL7509050 | 0.92 | ZDHHC7 (0.44) | CA2CA1ATMZDHHC7CPB2 | |
| SCHEMBL7505999 | 0.92 | ZDHHC7 (0.44) | CA2CA1ATMZDHHC7CPB2 | |
| SCHEMBL7512070 | 0.92 | ZDHHC7 (0.44) | CA2CA1ATMZDHHC7CPB2 | |
| SCHEMBL7506703 | 0.92 | CA2 (0.44) | CA2CA1MAPK1TSHRCYP3A4 | |
| SCHEMBL7509191 | 0.88 | ZDHHC7 (0.43) | CA2CA1ATMZDHHC7CPB2 | |
| SCHEMBL27513818 | 0.88 | ALDH1A1 (0.39) | CA2CA1TSHRCYP3A4TDP1 | |
| SCHEMBL7512461 | 0.83 | ALDH1A1 (0.46) | ALDH1A1LMNACPB2MAPTHPGD | |
| SCHEMBL7779110 | 0.81 | ZDHHC7 (0.49) | CA2ATMZDHHC7CPB2MAPT | |
| SCHEMBL7204081 | 0.81 | ZDHHC7 (0.49) | CA2ATMZDHHC7CPB2MAPT |
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-4015511-A1 | OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | CARNEGIE MELLON UNIVERSITY (US) | 2022-06-22 | — | — | EP | disclosed |
| EP-3353157-B1 | OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | UNIV CARNEGIE MELLON (US) | 2021-11-24 | — | — | EP | disclosed |
| CN-105541731-A | Method for preparing 5-ethyl-5-(1-methylbutyl)malonylurea | SHANDONG XINHUA PHARMACEUTICAL | 2016-05-04 | — | — | CN | disclosed |
| EP-0914206-B1 | LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS | UNIV CARNEGIE MELLON (US) | 2002-12-11 | — | — | EP | disclosed |