Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | HTT | P42858 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11508450 | 0.88 | CYP1A2 (0.37) | CYP1A2CYP2C19CYP2D6ALDH1A1HTT | |
| SCHEMBL11508260 | 0.83 | S1PR1 (0.39) | CYP1A2CYP2C19CYP2D6ALDH1A1HTT | |
| SCHEMBL11507772 | 0.83 | CYP1A2 (0.38) | CYP1A2CYP2C19CYP2D6ALDH1A1HTT | |
| SCHEMBL11507932 | 0.82 | THRB (0.43) | CYP1A2CYP2C19CYP2D6ALDH1A1HTT | |
| SCHEMBL11509784 | 0.80 | PTGS1 (0.38) | ALDH1A1HTTLMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL11509314 | 0.79 | KCNK3 (0.40) | ALDH1A1HTTMAPT | |
| SCHEMBL11508518 | 0.79 | GPR139 (0.37) | KMT2AMEN1GAAMAPT | |
| Oxirane SCHEMBL11510255 | 0.77 | PTGS1 (0.37) | ALDH1A1HTTLMNASMN1; SMN2 | |
| SCHEMBL11471800 | 0.76 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP2D6ALDH1A1HTT | |
| SCHEMBL11509777 | 0.73 | CYP1A2 (0.36) | CYP1A2CYP2C19CYP2D6ALDH1A1HTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4160098-A | DIURETICS, SALURETICS, HYPOTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-03 | — | — | US | disclosed |
| US-4122281-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE | BAYER AKTIENGESELLSCHAFT (DE) | 1978-10-24 | — | — | US | disclosed |
| US-4122279-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE | BAYER AKTIENGESELLSCHAFT (DE) | 1978-10-24 | — | — | US | disclosed |
| US-4122280-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE | BAYER AKTIENGESELLSCHAFT (DE) | 1978-10-24 | — | — | US | disclosed |
| US-4096152-A | DIURETICS, SALURETICS, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1978-06-20 | — | — | US | disclosed |
| US-4069334-A | DIURETICS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1978-01-17 | — | — | US | disclosed |
| US-4002641-A | DIURETICS, SALURETICS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-11 | — | — | US | disclosed |