Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.70 |
| ▸ | TSHR | P16473 | 3/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749142 | 1.00 | SIGMAR1 (0.70) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL9813889 | 1.00 | SIGMAR1 (0.70) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL11249169 | 0.86 | SIGMAR1 (0.73) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL7963090 | 0.85 | SIGMAR1 (0.61) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL9772450 | 0.85 | SIGMAR1 (0.61) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL10340106 | 0.82 | SIGMAR1 (0.95) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL10340107 | 0.82 | SIGMAR1 (0.95) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL7218502 | 0.82 | SIGMAR1 (1.00) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL7218504 | 0.82 | SIGMAR1 (1.00) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL11610023 | 0.82 | SIGMAR1 (1.00) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |