Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | MMP1 | P03956 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 1/20 | 0.56 |
| ▸ | MMP9 | P14780 | 1/20 | 0.56 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.55 |
| ▸ | NMT1 | P30419 | 1/20 | 0.54 |
| ▸ | TGM2 | P21980 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CCR6 | P51684 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9260709 | 1.00 | NPC1 (0.60) | NPC1RAB9AMAPTSMN1; SMN2EGFR | |
| SCHEMBL9256847 | 0.85 | FFAR1 (0.54) | NPC1RAB9AMAPTDEGS1TGM2 | |
| SCHEMBL9256850 | 0.85 | FFAR1 (0.54) | NPC1RAB9AMAPTDEGS1TGM2 | |
| SCHEMBL28620583 | 0.83 | NPC1 (0.58) | NPC1RAB9AMAPTSMN1; SMN2EGFR | |
| SCHEMBL10954608 | 0.80 | NPC1 (0.55) | NPC1RAB9AMAPTSMN1; SMN2EGFR | |
| SCHEMBL9258078 | 0.80 | ALDH1A1 (0.54) | MAPTSMN1; SMN2EGFRMMP1MMP2 | |
| SCHEMBL9258086 | 0.80 | ALDH1A1 (0.54) | MAPTSMN1; SMN2EGFRMMP1MMP2 | |
| SCHEMBL10952758 | 0.79 | EGFR (0.54) | NPC1RAB9AMAPTSMN1; SMN2EGFR | |
| SCHEMBL11795731 | 0.78 | CES2 (0.55) | NPC1RAB9AMAPTSMN1; SMN2HPGD | |
| SCHEMBL28522658 | 0.76 | EGFR (0.51) | NPC1RAB9AMAPTSMN1; SMN2EGFR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5411977-A | Substituted 2,5-diaryl-4-isothiazolin-3-ones as antiinflammatory and antithrombotic agents | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-02 | — | — | US | disclosed |