Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPY2R | P49146 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9409721 | 0.87 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9409688 | 0.80 | HSD17B13 (0.32) | — | |
| SCHEMBL9409674 | 0.72 | CHRM2 (0.47) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9409708 | 0.70 | ADORA2B (0.42) | ADORA2BKMT2A | |
| SCHEMBL14257134 | 0.68 | — | — | |
| SCHEMBL9031069 | 0.66 | CHRM2 (0.50) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL10257125 | 0.65 | CHRM2 (0.59) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9409694 | 0.65 | CHRM2 (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL14676513 | 0.65 | DRD3 (0.53) | MEN1CYP2D6CYP2C9CYP2C19NPY2R | |
| SCHEMBL18686731 | 0.64 | ALDH1A1 (0.42) | KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0605393-A1 | Heterocyclic acetylenic amines having central nervous system activity | THE UPJOHN COMPANY (US) | 1994-07-06 | — | — | EP | disclosed |
| US-5225567-A | HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1993-07-06 | — | — | US | disclosed |
| US-5157124-A | Improving mental performance | THE UPJOHN COMPANY (US) | 1992-10-20 | — | — | US | disclosed |
| US-5137905-A | Cholinergic agonists; analgesics; cognition activators | THE UPJOHN COMPANY (US) | 1992-08-11 | — | — | US | disclosed |
| EP-0440670-A1 | HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. | UPJOHN CO (US) | 1991-08-14 | — | — | EP | disclosed |
| WO-1990004588-A1 | HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-05-03 | — | — | WO | disclosed |