Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | TP53 | P04637 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10730091 | 0.82 | NPC1 (0.38) | NPC1RAB9ATP53MAPTPTGS1 | |
| SCHEMBL10735499 | 0.81 | NPC1 (0.38) | NPC1RAB9ATP53MAPTNFKB1 | |
| SCHEMBL10661492 | 0.81 | NPC1 (0.55) | NPC1RAB9ATP53MAPTNFKB1 | |
| SCHEMBL10513064 | 0.80 | MAOB (0.40) | NPC1RAB9ATP53MAPTPTGS1 | |
| SCHEMBL10737896 | 0.79 | NR1H4 (0.44) | NPC1RAB9ATP53MAPTSMN1; SMN2 | |
| SCHEMBL11558759 | 0.79 | NPC1 (0.46) | NPC1RAB9ATP53MAPTNFKB1 | |
| SCHEMBL10514333 | 0.79 | ESR1 (0.46) | NPC1RAB9AALDH1A1PTGS1MEN1 | |
| SCHEMBL10664921 | 0.77 | NPC1 (0.42) | NPC1RAB9ATP53MAPTNFKB1 | |
| SCHEMBL11559146 | 0.74 | NPC1 (0.44) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL10657148 | 0.72 | PTGS1 (0.41) | NPC1RAB9ATP53MAPTNFKB1 |
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 4 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 |
| EP-0002666-B1 | 1,2-BENZISOXAZOLYLOXY (OR THIO) ACETIC ACIDS AND RELATED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-02-17 | — | — | EP | disclosed |
| EP-0002666-A1 | 1,2-Benzisoxazolyloxy (or thio) acetic acids and related compounds, process for their preparation and medicines containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-07-11 | — | — | EP | disclosed |