Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | MC5R | P33032 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11445189 | 0.82 | MC5R (0.61) | CYP3A4CYP1A2IDO1MC5RMAPK1 | |
| SCHEMBL11619289 | 0.80 | ADRA2A (0.46) | CYP3A4CYP1A2HIF1ACYP2D6CYP2C19 | |
| SCHEMBL11622047 | 0.80 | MC5R (0.55) | CYP3A4CYP1A2HIF1AALDH1A1HSD17B10 | |
| SCHEMBL31284846 | 0.78 | ALDH1A1 (0.56) | CYP3A4CYP1A2HIF1ACYP2D6CYP2C19 | |
| SCHEMBL11620454 | 0.74 | CYP2A6 (0.42) | CYP3A4CYP1A2HIF1ACYP2D6CYP2C19 | |
| SCHEMBL9609733 | 0.74 | ALDH1A1 (0.56) | CYP3A4CYP1A2HIF1ACYP2D6CYP2C19 | |
| SCHEMBL9040952 | 0.74 | CYP1A2 (0.65) | CYP3A4CYP1A2HIF1ACYP2D6CYP2C19 | |
| SCHEMBL1970394 | 0.74 | ALDH1A1 (0.56) | CYP3A4CYP1A2HIF1ACYP2D6CYP2C19 | |
| SCHEMBL17183134 | 0.74 | ALDH1A1 (0.56) | CYP3A4CYP1A2HIF1ACYP2D6CYP2C19 | |
| SCHEMBL9609738 | 0.74 | ALDH1A1 (0.56) | CYP3A4CYP1A2HIF1ACYP2D6CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4076943-A | DIURETICS, SALURETICS, ANTIHYPERTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1978-02-28 | — | — | US | disclosed |
| US-4061653-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-12-06 | — | — | US | disclosed |
| US-3950528-A | HYPOTENSIVE AGENTS, SALURETICS, DIURETICS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | disclosed |