Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5569933 | 0.84 | PTGDR2 (0.45) | CCR5PTGDR2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30152364 | 0.83 | PTGDR2 (0.59) | CCR5PTGDR2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8712221 | 0.83 | PTGDR2 (0.59) | CCR5PTGDR2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7975482 | 0.82 | KDM4E (0.54) | KDM4ETDP1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL30290017 | 0.82 | KDM4E (0.54) | KDM4ETDP1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL4185116 | 0.81 | SMN1; SMN2 (0.42) | CCR5PTGDR2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28009643 | 0.80 | TSHR (0.41) | PTGDR2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL8681344 | 0.79 | ALDH1A1 (0.38) | KDM4EKMT2ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL4014116 | 0.79 | CYP3A4 (0.42) | CCR5PTGDR2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2631358 | 0.79 | ALDH1A1 (0.39) | CCR5PTGDR2CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5716971-A | FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0623597-B1 | Pyridine derivatives, with potassium channel opening activity | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-10-22 | — | — | EP | disclosed |
| EP-0623597-A1 | Pyridine derivatives, with potassium channel opening activity | Takeda Chemical Industries, Ltd. (JP) | 1994-11-09 | — | — | EP | disclosed |