Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4682021 | 0.83 | NAPRT (0.62) | NAPRTESR1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL1442885 | 0.80 | NAPRT (0.58) | NAPRTESR1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL48669 | 0.80 | NAPRT (0.69) | NAPRTESR1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL29611658 | 0.80 | NAPRT (0.69) | NAPRTESR1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL8737617 | 0.80 | NAPRT (0.58) | NAPRTESR1CYP19A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL16571554 | 0.78 | NAPRT (0.56) | NAPRTESR1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL8565414 | 0.78 | NAPRT (0.56) | NAPRTESR1CYP19A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL1978920 | 0.78 | NAPRT (0.67) | NAPRTESR1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL3524140 | 0.77 | NAPRT (0.55) | NAPRTESR1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL10744051 | 0.77 | NAPRT (0.55) | NAPRTESR1CYP19A1CYP1A2CYP3A4 |
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-2023141593-A2 | PROCESS FOR SYNTHESIS OF GALBULIMIMA ALKALOID 18 AND COMPOUNDS USEFUL AS OPIOID RECEPTOR ANTAGONISTS AND AGONISTS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-07-27 | — | — | WO | disclosed |