Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.66 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.66 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8338493 | 0.87 | ESR1 (0.60) | GABRA1GABRA5MAOBMCL1ESR1 | |
| SCHEMBL11600001 | 0.85 | ESR1 (0.67) | GABRA1GABRA5ADORA1ADORA3ADORA2A | |
| SCHEMBL8335288 | 0.83 | MAOB (0.69) | ADORA1ADORA3MAOBALDH1A1NPC1 | |
| SCHEMBL11598733 | 0.82 | ADORA1 (0.53) | GABRA1GABRA5ADORA1MAOBESR1 | |
| SCHEMBL11189070 | 0.81 | MAOB (0.73) | GABRA1GABRA5MAOBMCL1ALDH1A1 | |
| SCHEMBL7506018 | 0.80 | ESR1 (0.59) | GABRA1GABRA5MAOBESR1RAB9A | |
| SCHEMBL11599871 | 0.79 | MAOB (0.53) | GABRA1GABRA5MAOBESR1ALDH1A1 | |
| SCHEMBL11599735 | 0.79 | PAX8 (0.59) | GABRA1GABRA5MAOBESR1ALDH1A1 | |
| SCHEMBL2958622 | 0.78 | MCL1 (0.61) | MCL1ALDH1A1MAPTKMT2ARXFP1 | |
| SCHEMBL11599731 | 0.78 | MAOB (0.53) | MAOBESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4075227-A | NONSTEROIDAL | ELI LILLY AND COMPANY (US) | 1978-02-21 | — | — | US | disclosed |