Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | MIF | P14174 | 2/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.49 |
| ▸ | RAF1 | P04049 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | AKT2 | P31751 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.49 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.49 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.49 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.49 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.49 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11504406 | 1.00 | CYP1A2 (0.65) | CYP1A2KMT2AMEN1ACHEMIF | |
| SCHEMBL17451495 | 0.92 | KMT2A (0.56) | CYP1A2KMT2AMEN1ACHEMIF | |
| SCHEMBL17451477 | 0.89 | KMT2A (0.53) | CYP1A2KMT2AMEN1ACHEMIF | |
| SCHEMBL23923069 | 0.82 | CYP1A2 (0.85) | CYP1A2KMT2AMEN1ACHEMIF | |
| SCHEMBL14017013 | 0.82 | CYP1A2 (0.85) | CYP1A2KMT2AMEN1ACHEMIF | |
| SCHEMBL11504421 | 0.81 | MAOB (0.58) | CYP1A2KMT2AMEN1ACHEIKBKB | |
| SCHEMBL16111376 | 0.81 | DRD3 (0.49) | CYP1A2KMT2AMEN1ACHEIKBKB | |
| SCHEMBL16111375 | 0.81 | DRD3 (0.49) | CYP1A2KMT2AMEN1ACHEIKBKB | |
| SCHEMBL17451496 | 0.81 | DRD3 (0.49) | CYP1A2KMT2AMEN1ACHEIKBKB | |
| SCHEMBL11504420 | 0.81 | MAOB (0.58) | CYP1A2KMT2AMEN1ACHEIKBKB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4178379-A | ANITINFLAMMATORY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1979-12-11 | — | — | US | disclosed |
| US-4128647-A | ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1978-12-05 | — | — | US | disclosed |