Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PRKCA | P17252 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16361768 | 0.88 | HCAR2 (0.48) | HCAR2PRKCAMAPTCA12CA1 | |
| SCHEMBL29081233 | 0.88 | HCAR2 (0.48) | HCAR2PRKCAMAPTCA12CA1 | |
| SCHEMBL2771350 | 0.80 | HCAR2 (0.44) | HCAR2TSHRMAPTRECQLCA12 | |
| SCHEMBL13760080 | 0.73 | HCAR2 (0.47) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL7591529 | 0.73 | HCAR2 (0.47) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL11920709 | 0.72 | HCAR2 (0.34) | HCAR2TSHRMAPTALDH1A1KMT2A | |
| SCHEMBL2747284 | 0.72 | HCAR2 (0.34) | HCAR2TSHRMAPTALDH1A1KMT2A | |
| SCHEMBL31124794 | 0.71 | HCAR2 (0.46) | HCAR2PRKCAMAPTCA12CA1 | |
| SCHEMBL30354007 | 0.71 | HCAR2 (0.46) | HCAR2PRKCAMAPTCA12CA1 | |
| SCHEMBL25446925 | 0.70 | HCAR2 (0.52) | HCAR2MAPTCA12CA1CA2 |
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-2017106071-A1 | SPIROCYCLIC QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | WO | disclosed |