Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 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 | |
|---|---|---|---|---|
| SCHEMBL9154573 | 1.00 | RAB9A (0.37) | RAB9AALDH1A1MAPTCHRNB2CHRNA2 | |
| SCHEMBL9766623 | 0.97 | RAB9A (0.35) | RAB9AALDH1A1MAPTCHRNB2CHRNA2 | |
| SCHEMBL9766621 | 0.97 | RAB9A (0.35) | RAB9AALDH1A1MAPTCHRNB2CHRNA2 | |
| SCHEMBL9161230 | 0.95 | RAB9A (0.41) | RAB9AALDH1A1CHRNB2CHRNA2CHRNB4 | |
| SCHEMBL9161238 | 0.95 | RAB9A (0.41) | RAB9AALDH1A1CHRNB2CHRNA2CHRNB4 | |
| SCHEMBL9156752 | 0.93 | RAB9A (0.40) | RAB9AALDH1A1CHRNB2CHRNA2CHRNB4 | |
| SCHEMBL9156757 | 0.93 | RAB9A (0.40) | RAB9AALDH1A1CHRNB2CHRNA2CHRNB4 | |
| SCHEMBL9158731 | 0.91 | CHRNB2 (0.37) | ALDH1A1CHRNB2CHRNA2CHRNB4CHRNA3 | |
| SCHEMBL9158727 | 0.91 | CHRNB2 (0.37) | ALDH1A1CHRNB2CHRNA2CHRNB4CHRNA3 | |
| SCHEMBL8775006 | 0.84 | CHRNB2 (0.36) | RAB9AALDH1A1MAPTCHRNB2CHRNA2 |
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-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |