Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | TP53 | P04637 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10664921 | 0.85 | NPC1 (0.42) | NPC1HTTRAB9ATP53ALDH1A1 | |
| SCHEMBL10660502 | 0.81 | PKM (0.45) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL10660005 | 0.81 | ESR1 (0.52) | NPC1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL10663368 | 0.79 | MAPT (0.45) | NPC1RAB9ASMN1; SMN2NPSR1MAPT | |
| SCHEMBL10661492 | 0.78 | NPC1 (0.55) | NPC1RAB9ATP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL10659998 | 0.76 | NPC1 (0.48) | NPC1HTTRAB9ATP53ALDH1A1 | |
| SCHEMBL4931049 | 0.73 | ESR1 (0.48) | NPC1RAB9ATP53SMN1; SMN2TSHR | |
| SCHEMBL10730207 | 0.73 | FFAR4 (0.38) | NPC1HTTRAB9ASMN1; SMN2HPGD | |
| SCHEMBL6952870 | 0.72 | POLB (0.39) | ALDH1A1L3MBTL1NPSR1MAPTHPGD | |
| SCHEMBL20321846 | 0.71 | NPC1 (0.45) | NPC1HTTRAB9AALDH1A1SMN1; 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 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 |