Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4174336 | 0.88 | ALDH1A1 (0.47) | ALDH1A1HIF1AKMT2AHSP90AA1P2RY6 | |
| SCHEMBL1465043 | 0.80 | TDP1 (0.46) | ALDH1A1KMT2AHSP90AA1LMNAVCAM1 | |
| SCHEMBL22091313 | 0.77 | CYP3A4 (0.44) | ALDH1A1KMT2AHSP90AA1LMNATSHR | |
| SCHEMBL25837938 | 0.74 | VCAM1 (0.59) | ALDH1A1HIF1AKMT2ALMNAVCAM1 | |
| SCHEMBL361867 | 0.74 | VCAM1 (0.59) | ALDH1A1HIF1AKMT2ALMNAVCAM1 | |
| Fluoride SCHEMBL28618487 | 0.72 | VCAM1 (0.57) | ALDH1A1HIF1AKMT2ALMNAVCAM1 | |
| SCHEMBL25886876 | 0.72 | HSP90AA1 (0.51) | ALDH1A1HIF1AKMT2AHSP90AA1LMNA | |
| SCHEMBL28619044 | 0.72 | ALDH1A1 (0.51) | ALDH1A1KMT2AHSP90AA1P2RY6LMNA | |
| SCHEMBL30152214 | 0.71 | CA12 (0.45) | ALDH1A1HIF1AKMT2AHSP90AA1LMNA | |
| SCHEMBL15322909 | 0.70 | ATM (0.49) | ALDH1A1HIF1AP2RY6LMNAVCAM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013153535-A1 | TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2013-10-17 | — | — | WO | disclosed |
| WO-2013153535-A1 | TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2013-10-17 | — | — | WO | disclosed |