Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | DRD4 | P21917 | 2/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1573619 | 0.86 | CYP2D6 (0.69) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL1996527 | 0.86 | CYP2D6 (0.69) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL1874710 | 0.86 | CYP2D6 (0.69) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL4887124 | 0.86 | CYP2D6 (0.69) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL22145062 | 0.84 | CYP2D6 (0.71) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL7947076 | 0.82 | CYP2D6 (0.81) | CYP2D6CYP3A4LMNANPC1SMN1; SMN2 | |
| SCHEMBL23067931 | 0.82 | DRD4 (0.57) | CYP2D6CYP3A4DRD2DRD4DRD3 | |
| Bromide SCHEMBL11558499 | 0.80 | DRD2 (0.73) | KMT2ADRD2DRD4DRD3ESR1 | |
| Hydrochloric Acid SCHEMBL11649275 | 0.80 | DRD2 (0.73) | KMT2ADRD2DRD4DRD3ESR1 | |
| Hydrochloric Acid SCHEMBL28934886 | 0.80 | DRD2 (0.73) | KMT2ADRD2DRD4DRD3ESR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5767121-A | ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-16 | — | — | US | disclosed |
| US-5561147-A | ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-01 | — | — | US | disclosed |
| US-5457106-A | Antiinflammatory agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-10-10 | — | — | US | disclosed |
| US-5389658-A | Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-02-14 | — | — | US | disclosed |
| EP-0612729-A2 | Pyridine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1994-08-31 | — | — | EP | disclosed |
| US-5246948-A | Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-09-21 | — | — | US | disclosed |
| EP-0522606-A2 | Pyridine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-01-13 | — | — | EP | disclosed |