Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.40 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL19300879 | 0.85 | GSR (0.39) | GSRTACR1SCN2ASMN1; SMN2BCHE | |
| SCHEMBL29037434 | 0.84 | GSR (0.55) | GSRALDH1A1PDCD1CD274SPHK2 | |
| SCHEMBL15275700 | 0.79 | GSR (0.51) | GSRALDH1A1SCN2ABCHEBACE1 | |
| SCHEMBL13918962 | 0.77 | BCHE (0.54) | GSRPDCD1CD274SMN1; SMN2BCHE | |
| SCHEMBL19051205 | 0.76 | TACR1 (0.43) | ALDH1A1TACR1SMN1; SMN2RXRARXRB | |
| SCHEMBL15587609 | 0.76 | GSR (0.47) | GSRPDCD1CD274SPHK2SPHK1 | |
| SCHEMBL3240028 | 0.75 | GSR (0.54) | GSRPDCD1CD274SMN1; SMN2KMT2A | |
| SCHEMBL28264683 | 0.73 | TACR1 (0.46) | ALDH1A1TACR1TP53SMN1; SMN2RXRA | |
| SCHEMBL13436123 | 0.73 | GABRA1 (0.44) | GSRTACR1BCHEBACE1RXRA | |
| SCHEMBL7933373 | 0.72 | GSR (1.00) | GSRALDH1A1TP53ALOX15SCN2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2800745-B1 | PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES | PHENEX PHARMACEUTICALS AG (DE) | 2020-02-12 | — | — | EP | disclosed |