Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.38 |
| ▸ | FEN1 | P39748 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CHUK | O15111 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL10659655 | 0.86 | KCNN4 (0.38) | KCNN4ALOX5APFEN1SCN9AHTR7 | |
| SCHEMBL10735335 | 0.83 | TP53 (0.37) | ALOX5APFEN1NPC1HTTHTR7 | |
| SCHEMBL10735554 | 0.83 | NPC1 (0.35) | NPC1HTTHTR7KDM4EALDH1A1 | |
| SCHEMBL10664951 | 0.82 | ALOX5AP (0.37) | ALOX5APFEN1NPC1HTT | |
| Brocrinat SCHEMBL29452050 | 0.81 | PPARG (0.43) | ALOX5APFEN1KDM4EALDH1A1 | |
| Brocrinat SCHEMBL636178 | 0.81 | PPARG (0.43) | ALOX5APFEN1KDM4EALDH1A1 | |
| SCHEMBL10659998 | 0.80 | NPC1 (0.48) | NPC1HTTHTR7KDM4EALDH1A1 | |
| SCHEMBL10659946 | 0.79 | FHIT (0.48) | NPC1ALDH1A1POLBMAPTRAB9A | |
| SCHEMBL10730700 | 0.77 | RAB9A (0.49) | NPC1ALDH1A1MAPTMEN1RAB9A | |
| SCHEMBL11553171 | 0.73 | HTR7 (0.40) | NPC1HTTHTR7PTGS1ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4728662-A | DIURETICS, URICOSURICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-03-01 | — | — | US | disclosed |
| US-4673746-A | DIURETICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-16 | — | — | US | disclosed |