Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27970992 | 0.98 | SLC6A3 (0.41) | SLC6A3APEX1OPRM1NPC1RAB9A | |
| SCHEMBL9905927 | 0.82 | SLC6A3 (0.38) | SLC6A3APEX1OPRM1NPC1RAB9A | |
| SCHEMBL4810391 | 0.80 | SLC6A3 (0.37) | SLC6A3APEX1OPRM1NPC1RAB9A | |
| Lithium Ion SCHEMBL10484385 | 0.78 | SLC6A3 (0.36) | SLC6A3APEX1OPRM1NPC1RAB9A | |
| SCHEMBL8629677 | 0.78 | SMN1; SMN2 (0.34) | APEX1SMN1; SMN2PTGDR2MEN1KMT2A | |
| SCHEMBL28979179 | 0.78 | HDAC6 (0.50) | SLC6A3APEX1OPRM1NPC1RAB9A | |
| SCHEMBL408093 | 0.77 | HTT (0.50) | SLC6A3OPRM1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27860995 | 0.74 | PTGDR2 (0.36) | APEX1SMN1; SMN2PTGDR2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3970465 | 0.74 | RAB9A (0.50) | SLC6A3OPRM1NPC1RAB9APKM | |
| Bromide SCHEMBL28190254 | 0.74 | RAB9A (0.50) | SLC6A3OPRM1NPC1RAB9APKM |
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-4872918-A | Heterocyclic esters and smoking compositions containing a heterocyclic ester flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1989-10-10 | — | — | US | disclosed |