Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | GRK5 | P34947 | 1/20 | 0.38 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | PRKX | P51817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11075302 | 0.84 | CYP2C19 (0.40) | ALDH1A1ESR1CYP3A4ESR2FFAR1 | |
| SCHEMBL11097461 | 0.83 | FFAR1 (0.41) | ALDH1A1ESR1CYP3A4ESR2FFAR1 | |
| SCHEMBL11066784 | 0.83 | MIF (0.47) | ALDH1A1ESR1CYP3A4ESR2KMT2A | |
| SCHEMBL11091213 | 0.83 | ALDH1A1 (0.40) | ALDH1A1ESR1CYP3A4ESR2KMT2A | |
| SCHEMBL11091478 | 0.83 | NPC1 (0.46) | ALDH1A1ESR1CYP3A4ESR2FFAR1 | |
| SCHEMBL8749755 | 0.78 | CHEK1 (0.40) | ALDH1A1ESR1CYP3A4ESR2KMT2A | |
| SCHEMBL734031 | 0.78 | SMN1; SMN2 (0.47) | ALDH1A1KMT2AMAPTMEN1SMN1; SMN2 | |
| SCHEMBL9447319 | 0.77 | CASP1 (0.39) | ALDH1A1ESR1ESR2RAB9ATSHR | |
| SCHEMBL7749384 | 0.76 | KCNN4 (0.41) | ALDH1A1ESR1CYP3A4ESR2FFAR1 | |
| SCHEMBL6139367 | 0.76 | TSHR (0.38) | ALDH1A1ESR1CYP3A4ESR2FFAR1 |
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-4460604-A | ANALGESICS, NARCOTIC ANTAGONIST | THE UPJOHN COMPANY (US) | 1984-07-17 | — | — | US | disclosed |
| US-4180584-A | ANALGESIC; NARCOTIC ANTAGONIST | THE UPJOHN COMPANY (US) | 1979-12-25 | — | — | US | disclosed |
| US-4065573-A | ANALGESICS | THE UPJOHN COMPANY (US) | 1977-12-27 | — | — | US | disclosed |