Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 5/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.41 |
| ▸ | TUBB | P07437 | 4/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 4/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 4/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 4/20 | 0.41 |
| ▸ | TUBB2B | Q9BVA1 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7952895 | 0.98 | PTGS2 (0.47) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL7955006 | 0.93 | PTGS2 (0.48) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL7956580 | 0.86 | PTGS2 (0.52) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL7956492 | 0.84 | CA2 (0.50) | CYP3A4POLBABCB1CYP19A1KDM4E | |
| SCHEMBL27539660 | 0.83 | PTGS2 (0.53) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL7945863 | 0.82 | CA2 (0.52) | CYP3A4POLBABCB1CYP19A1AOC3 | |
| SCHEMBL5871797 | 0.80 | TUBB4A (0.57) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL7956528 | 0.79 | PTGS2 (0.55) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL7961363 | 0.78 | PTGS2 (0.64) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL11044739 | 0.78 | TUBB1 (0.46) | PTGS2HTR2AHTR2CHTR2BTUBB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6245779-B1 | ANALGESICS; ANTIINFLAMMATORY AGENTS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-06-12 | — | — | US | disclosed |
| EP-0997463-A1 | NAPHTHYRIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2000-05-03 | — | — | EP | disclosed |