Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL4140163 | 1.00 | LMNA (0.50) | LMNAHSD17B10CYP19A1SRD5A1HTR2C | |
| SCHEMBL9749054 | 1.00 | LMNA (0.50) | LMNAHSD17B10CYP19A1SRD5A1HTR2C | |
| SCHEMBL9813925 | 0.91 | DRD1 (0.46) | LMNAHSD17B10DRD2DRD3SLC6A9 | |
| SCHEMBL4132717 | 0.88 | MTNR1A (0.49) | CYP19A1HTR2CDRD2DRD3 | |
| SCHEMBL10205792 | 0.84 | CHRNA7 (0.46) | LMNAHSD17B10CYP19A1HTR2CDRD2 | |
| SCHEMBL629387 | 0.83 | HTR2C (0.50) | LMNAHSD17B10CYP19A1SRD5A1HTR2C | |
| SCHEMBL30715514 | 0.81 | CYP19A1 (0.48) | LMNAHSD17B10CYP19A1SRD5A1HTR2C | |
| SCHEMBL30715515 | 0.81 | CYP19A1 (0.48) | LMNAHSD17B10CYP19A1SRD5A1HTR2C | |
| SCHEMBL607389 | 0.80 | CYP19A1 (0.52) | LMNAHSD17B10CYP19A1SRD5A1HTR2C | |
| SCHEMBL9361618 | 0.78 | CA1 (0.45) | LMNAHSD17B10CYP19A1SRD5A1HTR2C |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0260555-B1 | BENZO-FUSED CYCLOALKANE AND OXA- AND THIA-, CYCLOALKANE TRANS-1,2-DIAMINE DERIVATIVES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-04-22 | — | — | EP | disclosed |
| US-5043350-A | Analgesics, diuretics | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-08-27 | — | — | US | disclosed |
| US-5010085-A | Analgesis and/or diuretics | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-04-23 | — | — | US | disclosed |
| US-4929627-A | ANALGESICS, DIURETICS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-05-29 | — | — | US | disclosed |
| US-4876269-A | ANALGESICS, DIURETICS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-10-24 | — | — | US | disclosed |
| EP-0260555-A1 | Benzo-fused cycloalkane and oxa- and thia-, cycloalkane trans-1,2-diamine derivatives | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1988-03-23 | — | — | EP | disclosed |