Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11817921 | 0.86 | ALDH1A1 (0.39) | MIFALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL11075302 | 0.84 | CYP2C19 (0.40) | ALDH1A1ESR1CYP3A4ESR2CCR1 | |
| SCHEMBL11091213 | 0.83 | ALDH1A1 (0.40) | ALDH1A1ESR1CYP3A4ESR2POLB | |
| SCHEMBL11095038 | 0.83 | ALDH1A1 (0.44) | ALDH1A1ESR1CYP3A4ESR2KDM4E | |
| SCHEMBL11097461 | 0.83 | FFAR1 (0.41) | ALDH1A1ESR1CYP3A4ESR2HTT | |
| SCHEMBL6139367 | 0.83 | TSHR (0.38) | MIFALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL11095066 | 0.82 | MAOA (0.37) | MIFALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL11817907 | 0.81 | MAPT (0.40) | ALDH1A1POLBHTTKDM4EMAPT | |
| SCHEMBL8180989 | 0.81 | KIF11 (0.40) | ALDH1A1CCR1POLBKDM4EPKM | |
| SCHEMBL11817919 | 0.81 | GRIN2D (0.39) | MIFALDH1A1ESR1CYP3A4ESR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4460604-A | ANALGESICS, NARCOTIC ANTAGONIST | THE UPJOHN COMPANY (US) | 1984-07-17 | — | — | US | disclosed |
| US-4447454-A | Analgetic compounds, compositions and process of treatment | THE UPJOHN COMPANY (US) | 1984-05-08 | — | — | US | disclosed |
| US-4180584-A | ANALGESIC; NARCOTIC ANTAGONIST | THE UPJOHN COMPANY (US) | 1979-12-25 | — | — | US | disclosed |
| US-4113866-A | ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT | THE UPJOHN COMPANY (US) | 1978-09-12 | — | — | US | disclosed |
| US-4065573-A | ANALGESICS | THE UPJOHN COMPANY (US) | 1977-12-27 | — | — | US | disclosed |