Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 11/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 10/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 10/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7278370 | 0.99 | CHRM3 (0.56) | CHRM3CHRM2CHRM1CHRM4TSHR | |
| SCHEMBL1234853 | 0.82 | CHRM3 (0.63) | CHRM3CHRM2CHRM1CHRM4TSHR | |
| SCHEMBL1235445 | 0.81 | CHRM3 (0.65) | CHRM3CHRM2CHRM1CHRM4TSHR | |
| SCHEMBL7268543 | 0.80 | KEAP1 (0.56) | CHRM3CHRM2CHRM1CHRM4KEAP1 | |
| SCHEMBL7277593 | 0.80 | CHRM2 (0.53) | CHRM3CHRM2CHRM1CHRM4TSHR | |
| Hydrochloric Acid SCHEMBL9878134 | 0.80 | CHRM2 (0.62) | CHRM3CHRM2CHRM1CHRM4MEN1 | |
| Hydrochloric Acid SCHEMBL9878077 | 0.79 | CHRM2 (0.51) | CHRM3CHRM2CHRM1CHRM4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9878105 | 0.79 | CHRM2 (0.63) | CHRM3CHRM2CHRM1CHRM4MEN1 | |
| SCHEMBL7274525 | 0.79 | CHRM3 (0.55) | CHRM3CHRM2CHRM1CHRM4TSHR | |
| SCHEMBL7267604 | 0.79 | KEAP1 (0.55) | CHRM3CHRM2CHRM1CHRM4KEAP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0359311-B1 | Butynylamine derivatives | NIPPON SHINYAKU CO LTD (JP) | 1997-01-15 | — | — | EP | disclosed |
| US-5036098-A | Urogenital disorders | NIPPON SHINYAKU CO., LTD. (JP) | 1991-07-30 | — | — | US | disclosed |
| EP-0359311-A2 | Butynylamine derivatives | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1990-03-21 | — | — | EP | disclosed |