Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 6/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | TTPA | P49638 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5675007 | 0.85 | CYP3A4 (0.63) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL5674832 | 0.85 | CYP3A4 (0.63) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL6028036 | 0.85 | CYP3A4 (0.63) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Ethane SCHEMBL4283975 | 0.84 | CYP3A4 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL6971692 | 0.84 | PTGS1 (0.35) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7057394 | 0.81 | NR1I2 (0.47) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7058750 | 0.80 | NR1I2 (0.49) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8712759 | 0.78 | ALOX5 (0.33) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL23618121 | 0.76 | PTGS1 (0.72) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL23618111 | 0.76 | PTGS1 (0.72) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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-0345593-B2 | 2-substituted coumaran derivatives | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-02-04 | — | — | EP | disclosed |
| US-4978761-A | Enzyme inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-12-18 | — | — | US | disclosed |
| EP-0345593-A1 | 2-substituted coumaran derivatives | Takeda Chemical Industries, Ltd. (JP) | 1989-12-13 | — | — | EP | disclosed |