Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 4/20 | 0.42 |
| ▸ | ANPEP | P15144 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PEPD | P12955 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8582244 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP19A1MMP2ANPEPPOLB | |
| SCHEMBL4637454 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP19A1MMP2ANPEPPOLB | |
| SCHEMBL12304923 | 0.89 | PEPD (0.46) | ALDH1A1CYP19A1MMP2ANPEPPEPD | |
| SCHEMBL9200006 | 0.88 | CYP19A1 (0.45) | ALDH1A1CYP19A1MMP2ANPEPPOLB | |
| SCHEMBL8584183 | 0.86 | CYP19A1 (0.46) | ALDH1A1CYP19A1MMP2ANPEPPEPD | |
| SCHEMBL8584185 | 0.86 | CYP19A1 (0.46) | ALDH1A1CYP19A1MMP2ANPEPPEPD | |
| SCHEMBL19391072 | 0.86 | POLB (0.37) | ALDH1A1CYP19A1MMP2ANPEPPOLB | |
| SCHEMBL9383393 | 0.85 | PEPD (0.47) | ALDH1A1CYP19A1MMP2ANPEPPEPD | |
| SCHEMBL9328664 | 0.84 | ATM (0.50) | CYP19A1POLBMEN1KMT2AATM | |
| SCHEMBL7597723 | 0.84 | ATM (0.50) | CYP19A1POLBMEN1KMT2AATM |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998020350-A1 | COMBINATORIAL HYDROXY-AMINO ACID AMIDE LIBRARIES | PHARMACOPEIA, INC. (US) | 1998-05-14 | — | — | WO | claimed |
| US-9744392-B1 | Compounds and methods for the reduction of halogenated hydrocarbons | UNIVERSITY OF GUELPH (CA) | 2017-08-29 | — | — | US | disclosed |
| EP-0343499-B1 | 3-Pyrrolidinylthio-1-azabicyclo(3,2,0) hept-2-ene-2-carboxylic acid compounds | FUJISAWA PHARMACEUTICAL CO (JP) | 1994-07-27 | — | — | EP | disclosed |
| CN-1037149-A | The preparation method of 3-alkenyl-1-azabicyclo [3,2,0] hept-2-ene\"-2-carboxylic acid cpd | FUJISAWA PHARMACEUTICAL CO (JP) | 1989-11-15 | — | — | CN | disclosed |