Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508650 | 0.88 | KIF11 (0.34) | NR1I2KIF11CYP2D6 | |
| SCHEMBL15066839 | 0.67 | PTPN1 (0.41) | KIF11CYP2D6 | |
| SCHEMBL8954235 | 0.66 | ALDH1A1 (0.33) | KIF11CYP2D6 | |
| SCHEMBL6044524 | 0.64 | MAOB (0.46) | — | |
| SCHEMBL10409091 | 0.64 | ALDH1A1 (0.54) | NR1I2KIF11CYP2D6 | |
| SCHEMBL31012297 | 0.63 | CYP2C19 (0.47) | CYP2D6 | |
| SCHEMBL8762233 | 0.63 | CYP2C19 (0.47) | CYP2D6 | |
| SCHEMBL15067703 | 0.62 | PTPN1 (0.44) | — | |
| SCHEMBL3482515 | 0.62 | KIF11 (0.43) | KIF11 | |
| SCHEMBL8464287 | 0.62 | CYP1A2 (0.60) | CYP2D6 |
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-5574039-A | ANTITUMOR, FUNGICIDES | AGOURON PHARMACEUTICALS, INC. (US) | 1996-11-12 | — | — | US | disclosed |
| EP-0550566-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS (US) | 1993-07-14 | — | — | EP | disclosed |
| WO-1992005153-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1992-04-02 | — | — | WO | disclosed |