Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.57 |
| ▸ | MEN1 | O00255 | 8/20 | 0.57 |
| ▸ | NPC1 | O15118 | 8/20 | 0.57 |
| ▸ | RAB9A | P51151 | 7/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9049417 | 0.90 | MAPT (0.59) | MAPTTP53KMT2AMEN1NPC1 | |
| SCHEMBL9047596 | 0.84 | MAPT (0.66) | MAPTTP53KMT2AMEN1NPC1 | |
| SCHEMBL9049682 | 0.84 | MAPT (0.66) | MAPTTP53KMT2AMEN1NPC1 | |
| SCHEMBL9051722 | 0.81 | MAPT (0.49) | MAPTTP53KMT2AMEN1NPC1 | |
| SCHEMBL9048168 | 0.80 | KMT2A (0.56) | MAPTTP53KMT2AMEN1NPC1 | |
| SCHEMBL22415356 | 0.77 | KMT2A (0.56) | MAPTKMT2AMEN1NPC1RAB9A | |
| SCHEMBL15425060 | 0.77 | MAPT (0.69) | MAPTTP53KMT2AMEN1NPC1 | |
| SCHEMBL26467066 | 0.77 | MELK (0.63) | MAPTKMT2AMEN1NPC1RAB9A | |
| SCHEMBL31660395 | 0.77 | MELK (0.63) | MAPTKMT2AMEN1NPC1RAB9A | |
| SCHEMBL9049410 | 0.77 | KMT2A (0.55) | MAPTTP53KMT2AMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0731796-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-09-18 | — | — | EP | disclosed |
| WO-1995015318-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | disclosed |