Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5972875 | 0.87 | CYP2A6 (0.62) | PRKCICYP2A6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL27968356 | 0.83 | CYP2A6 (0.64) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL4325292 | 0.79 | TRPV1 (0.54) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL27968350 | 0.79 | CYP2E1 (0.49) | PRKCICYP2A6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL9199257 | 0.77 | NOTUM (0.64) | PRKCICYP2A6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL1692333 | 0.76 | SMN1; SMN2 (0.49) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL4316965 | 0.76 | APP (0.53) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL27968335 | 0.76 | CYP2E1 (0.62) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL4310633 | 0.76 | LTA4H (0.56) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL27968341 | 0.76 | HSD17B1 (0.51) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999043682-A9 | 2-(HET-)ARYL-4-(CYCLIC AMINO SUBSTITUTED) HETEROARYL FUSED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS (ANT-)AGONISTS FOR GABA (A) BRAIN RECEPTORS | NEUROGEN CORP (US) | 1999-11-11 | — | — | WO | claimed |
| WO-1999043682-A1 | 2-(HET-)ARYL-4-(CYCLIC AMINO SUBSTITUTED) HETEROARYL FUSED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS (ANT-)AGONISTS FOR GABA (A) BRAIN RECEPTORS | NEUROGEN CORPORATION (US) | 1999-09-02 | — | — | WO | claimed |
| WO-1999043682-A9 | 2-(HET-)ARYL-4-(CYCLIC AMINO SUBSTITUTED) HETEROARYL FUSED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS (ANT-)AGONISTS FOR GABA (A) BRAIN RECEPTORS | NEUROGEN CORP (US) | 1999-11-11 | — | — | WO | disclosed |
| WO-1999043682-A1 | 2-(HET-)ARYL-4-(CYCLIC AMINO SUBSTITUTED) HETEROARYL FUSED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS (ANT-)AGONISTS FOR GABA (A) BRAIN RECEPTORS | NEUROGEN CORPORATION (US) | 1999-09-02 | — | — | WO | disclosed |