Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11615128 | 0.87 | KMT2A (0.47) | KMT2AMEN1ESR1MAPTALOX15 | |
| SCHEMBL11613986 | 0.86 | KMT2A (0.53) | KMT2AMEN1MAPTTDP1ALOX15 | |
| SCHEMBL11615774 | 0.85 | KMT2A (0.53) | KMT2AMEN1MAPTTDP1ALOX15 | |
| SCHEMBL11612294 | 0.83 | RAB9A (0.48) | KMT2AMEN1MAPTTDP1ALOX15 | |
| SCHEMBL11615175 | 0.83 | MAPT (0.52) | KMT2AMEN1MAPTTDP1ALOX15 | |
| SCHEMBL11618012 | 0.83 | KMT2A (0.42) | KMT2AMEN1ESR1MAPTALOX15 | |
| SCHEMBL11613653 | 0.81 | MAPT (0.52) | KMT2AMEN1MAPTTDP1ALOX15 | |
| SCHEMBL11610558 | 0.80 | MAPT (0.50) | KMT2AMEN1MAPTTDP1ALOX15 | |
| SCHEMBL11602902 | 0.76 | MAPT (0.57) | KMT2AMEN1ESR1MAPTTDP1 | |
| SCHEMBL11615355 | 0.75 | RAB9A (0.43) | KMT2AMEN1MAPTALOX15HPGD |
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-4117145-A | DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4117143-A | USED AS ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4113957-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | disclosed |