Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | RAB9A | P51151 | 5/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | BLVRB | P30043 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PTGFR | P43088 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.30 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.30 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10644787 | 0.81 | ESR1 (0.40) | NPC1RAB9AESR1ESR2MAOA | |
| SCHEMBL10660502 | 0.76 | PKM (0.45) | NPC1RAB9A | |
| SCHEMBL10843996 | 0.76 | STK17B (0.40) | NPC1RAB9AESR1ESR2MAOA | |
| SCHEMBL10845047 | 0.75 | FFAR1 (0.37) | NPC1RAB9AESR1ESR2MAOA | |
| SCHEMBL10642927 | 0.75 | GPBAR1 (0.36) | NPC1RAB9AMAOABLVRBHDAC6 | |
| SCHEMBL10660005 | 0.74 | ESR1 (0.52) | NPC1RAB9AESR1ESR2HSP90AA1 | |
| SCHEMBL10663368 | 0.70 | MAPT (0.45) | NPC1RAB9ASMN1; SMN2GABRA5 | |
| SCHEMBL10663535 | 0.69 | NPC1 (0.48) | NPC1RAB9AESR1ESR2HTR7 | |
| SCHEMBL10842370 | 0.69 | FFAR1 (0.46) | NPC1RAB9AESR1ESR2EPAS1 | |
| SCHEMBL10661416 | 0.68 | ALDH1A1 (0.50) | ESR1ESR2SMN1; SMN2 |
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-4602028-A | Antihypertensive 3-aryl-1,2-benzisoxazol-sulfonyl and sulfinylalkanoic acids | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1986-07-22 | — | — | US | disclosed |