Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.59 |
| ▸ | SHBG | P04278 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.59 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.59 |
| ▸ | AR | P10275 | 1/20 | 0.59 |
| ▸ | MGAM | O43451 | 1/20 | 0.59 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.56 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.56 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.56 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11043325 | 1.00 | GPBAR1 (0.59) | GPBAR1SHBGCYP3A4SERPINA6HSD17B10 | |
| SCHEMBL6577636 | 0.86 | GPBAR1 (0.59) | GPBAR1SHBGCYP3A4SERPINA6HSD17B10 | |
| SCHEMBL3842363 | 0.86 | GPBAR1 (0.59) | GPBAR1SHBGCYP3A4SERPINA6HSD17B10 | |
| SCHEMBL11516238 | 0.86 | GPBAR1 (0.59) | GPBAR1SHBGCYP3A4SERPINA6HSD17B10 | |
| SCHEMBL10404231 | 0.83 | SRD5A2 (0.42) | GPBAR1SHBGCYP3A4SERPINA6HSD17B10 | |
| SCHEMBL10404132 | 0.83 | SRD5A2 (0.42) | GPBAR1SHBGCYP3A4SERPINA6HSD17B10 | |
| SCHEMBL10402248 | 0.83 | SRD5A2 (0.42) | GPBAR1SHBGCYP3A4SERPINA6HSD17B10 | |
| SCHEMBL9254164 | 0.82 | CYP19A1 (0.37) | GPBAR1SHBGCYP3A4SERPINA6HSD17B10 | |
| SCHEMBL9711332 | 0.82 | CYP19A1 (0.37) | GPBAR1SHBGCYP3A4SERPINA6HSD17B10 | |
| SCHEMBL9711331 | 0.82 | CYP19A1 (0.37) | GPBAR1SHBGCYP3A4SERPINA6HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0067480-B1 | NOVEL MONO - AND BISQUATERNARY AMMONIUM DERIVATIVES OF 2-BETA, 16-BETA-DIAMINO-5-ALPHA-ANDROSTANE DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME | AKZO N.V. (NL) | 1984-11-28 | — | — | EP | disclosed |
| US-4447425-A | NEUROMUSCULAR BLOCKING AGENTS, MUSCLE RELAXANTS | AKZO N.V. (NL) | 1984-05-08 | — | — | US | disclosed |
| EP-0067480-A1 | Novel mono - and bisquaternary ammonium derivatives of 2-beta, 16-beta-diamino-5-alpha-androstane derivatives and pharmaceutical preparations containing same | AKZO N.V. (NL) | 1982-12-22 | — | — | EP | disclosed |