Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | S100A4 | P26447 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | SLC25A5 | P05141 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL68859 | 0.77 | ALDH1A1 (0.57) | SIGMAR1ALDH1A1KDM4EHPGDS100A4 | |
| SCHEMBL11420689 | 0.74 | PIM1 (0.32) | S100A4ACHEMEN1KMT2A | |
| SCHEMBL13929274 | 0.74 | PRCP (0.34) | OPRK1BRD4CREBBPTSHRMEN1 | |
| SCHEMBL27488683 | 0.73 | S100A4 (0.48) | SIGMAR1ALDH1A1KDM4EHPGDS100A4 | |
| SCHEMBL8373688 | 0.73 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1KDM4EHPGDS100A4 | |
| SCHEMBL10814919 | 0.73 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1KDM4EHPGDS100A4 | |
| SCHEMBL8817667 | 0.73 | SMN1; SMN2 (0.56) | SIGMAR1ALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL28814207 | 0.73 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1KDM4EHPGDS100A4 | |
| SCHEMBL10381879 | 0.72 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1KDM4EHPGDS100A4 | |
| SCHEMBL2171598 | 0.69 | MAPT (0.50) | SIGMAR1ALDH1A1KDM4EHPGDS100A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022015624-A1 | SUBSTITUTED DIHYDROPYRAZINEDIONES AS MODULATORS OF THE NMDA RECEPTOR | SCHRÖDINGER, INC. (US) | 2022-01-20 | — | — | WO | disclosed |
| US-5886016-A | ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS | G.D. SEARLE & CO. (US) | 1999-03-23 | — | — | US | disclosed |
| US-5670532-A | Pyrazolyl derivatives for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1997-09-23 | — | — | US | disclosed |
| US-5565482-A | ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS | G.D. SEARLE & CO. (US) | 1996-10-15 | — | — | US | disclosed |
| US-5547975-A | ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION | G.D. SEARLE & CO. | 1996-08-20 | — | — | US | disclosed |
| WO-1996009304-A1 | BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-03-28 | — | — | WO | disclosed |