Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | KLK7 | P49862 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21764828 | 0.83 | IGF1R (0.34) | ADORA1IGF1RGAAALDH1A1HPGD | |
| SCHEMBL21764830 | 0.76 | ALDH1A1 (0.47) | ADORA1IGF1RGAAALDH1A1HPGD | |
| SCHEMBL23959588 | 0.75 | STAT3 (0.33) | ADORA1ALDH1A1TSHRKMT2ASMN1; SMN2 | |
| SCHEMBL23959619 | 0.75 | STAT3 (0.33) | ADORA1ALDH1A1TSHRKMT2ASMN1; SMN2 | |
| SCHEMBL21939479 | 0.65 | CNR2 (0.34) | ALDH1A1HPGDMAPTKMT2ASMN1; SMN2 | |
| SCHEMBL23959581 | 0.63 | ALDH1A1 (0.36) | GAAALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL24878671 | 0.61 | IDO1 (0.36) | ALDH1A1KDM4ETSHRKMT2ASMN1; SMN2 | |
| SCHEMBL24878539 | 0.61 | IDO1 (0.36) | ALDH1A1KDM4ETSHRKMT2ASMN1; SMN2 | |
| SCHEMBL16006626 | 0.60 | GLA (0.31) | GPR119 | |
| SCHEMBL7429634 | 0.59 | MEN1 (0.67) | ALDH1A1KDM4EHSD17B10TSHRKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020112581-A1 | NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2020-06-04 | — | — | WO | disclosed |