Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12871736 | 1.00 | ESR1 (0.42) | ESR1ESR2PDCD1CD274ALDH5A1 | |
| Hydrochloric Acid SCHEMBL13738816 | 0.85 | TYR (0.33) | TYR | |
| Hydrochloric Acid SCHEMBL2035158 | 0.78 | DRD1 (0.32) | TYRDRD1 | |
| Hydrochloric Acid SCHEMBL3388587 | 0.78 | DRD1 (0.32) | TYRDRD1 | |
| SCHEMBL4736322 | 0.76 | ADRB2 (0.50) | HIF1ANFKB1TSHRTDP1CYP3A4 | |
| SCHEMBL540045 | 0.76 | HTR2A (0.39) | ALOX15ALDH1A1MEN1CA2KMT2A | |
| SCHEMBL13131486 | 0.76 | IDO1 (0.43) | ALDH1A1LMNAIDO1TDO2 | |
| SCHEMBL3526327 | 0.76 | ESR1 (0.42) | ESR1ESR2PDCD1CD274ALDH5A1 | |
| SCHEMBL20495038 | 0.76 | IDO1 (0.43) | ALDH1A1LMNAIDO1TDO2 | |
| SCHEMBL6498253 | 0.76 | IDO1 (0.43) | ALDH1A1LMNAIDO1TDO2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2377528-A2 | Fatty acid metabolism inhibitors for use in the treatment of cancer | The Board of Regents of the University of Colorado (US) | 2011-10-19 | — | — | EP | disclosed |
| US-6566355-B1 | Useful in combination with beta -lactam antibiotics in the control of beta -lactamase forming pathogens | HOFFMANN-LA ROCHE INC. | 2003-05-20 | — | — | US | disclosed |
| US-5712268-A | Compositions of tricyclic β-lactams and uses thereof | HOFFMANN-LA ROCHE INC. (US) | 1998-01-27 | — | — | US | disclosed |
| US-5698577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1997-12-16 | — | — | US | disclosed |
| EP-0508234-B1 | Beta-lactames | HOFFMANN LA ROCHE (CH) | 1996-07-24 | — | — | EP | disclosed |
| US-5510343-A | BETA-LACTAMASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1996-04-23 | — | — | US | disclosed |
| EP-0508234-A2 | Beta-lactames | F. HOFFMANN-LA ROCHE AG (CH) | 1992-10-14 | — | — | EP | disclosed |
| EP-0006712-A1 | Heterocyclic derivatives of (4-aryloxymethyl-1.3-dioxolan-2-yl) methyl-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and the derivatives for use as fungicides and bactericides | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-01-09 | — | — | EP | disclosed |