Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.56 |
| ▸ | CES1 | P23141 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10620118 | 0.89 | ALDH1A1 (0.41) | CES2CES1TSHRALOX15ALDH1A1 | |
| SCHEMBL10662968 | 0.88 | MMP1 (0.53) | CES2CES1TSHRALOX15ALDH1A1 | |
| SCHEMBL10348275 | 0.82 | RXRA (0.40) | CES1ALDH1A1HPGDGSK3BL3MBTL1 | |
| SCHEMBL10405986 | 0.82 | CES2 (0.59) | CES2CES1TSHRALOX15ALDH1A1 | |
| SCHEMBL10887646 | 0.81 | CES2 (0.52) | CES2CES1TSHRALOX15ALDH1A1 | |
| SCHEMBL7532519 | 0.80 | MAPT (0.52) | CES2ALDH1A1HPGDCA1CA2 | |
| SCHEMBL19303575 | 0.78 | CES2 (0.54) | CES2CES1TSHRALOX15ALDH1A1 | |
| SCHEMBL8167899 | 0.78 | CA2 (0.55) | CES2CES1ALDH1A1HPGDCA2 | |
| SCHEMBL978677 | 0.78 | CES1 (0.60) | CES2CES1TSHRALOX15ALDH1A1 | |
| SCHEMBL17187854 | 0.78 | CES2 (0.54) | CES2CES1TSHRALOX15ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5767314-A | Selective acylation of monoalkylhydrazines | ROHM AND HAAS COMPANY (US) | 1998-06-16 | — | — | US | disclosed |
| US-5675037-A | REACTING UNSUBSTITUTED OR MONOALKYL-HYDRAZINES WITH TRICHLOROMETHYL ARYL KETONES | ROHM AND HAAS COMPANY (US) | 1997-10-07 | — | — | US | disclosed |
| CN-1032254-C | Selective acylation of hydrazines | ROHM & HAAS (US) | 1996-07-10 | — | — | CN | disclosed |
| EP-0492839-B1 | Selective acylation of hydrazines | ROHM & HAAS (US) | 1995-04-12 | — | — | EP | disclosed |